SCHEMBL2646034

SCHEMBL2646034

NN(C=O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.43
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
SARM1 Q6SZW1 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
SIRT4 Q9Y6E7 1/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 2/20 0.38
KCNN4 O15554 2/20 0.36
CYP2E1 P05181 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2B6 P20813 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Pyridine SCHEMBL29217376 0.80 KMT2A (0.37) KCNA5ALDH1A1KCNN4GAACYP11B1
SCHEMBL2861455 0.79 KCNA5 (0.46) KCNA5F7F3SARM1SIRT2
SCHEMBL28847835 0.79 KCNA5 (0.46) KCNA5F7F3SARM1SIRT2
SCHEMBL22086556 0.76 CYP2A6 (0.46) KCNA5F7F3SARM1SIRT2
SCHEMBL8504493 0.76 KCNA5 (0.43) KCNA5CYP3A4ALDH1A1CYP2A6CYP1A2
SCHEMBL10985893 0.76 KCNA5 (0.43) KCNA5F7F3SARM1SIRT2
SCHEMBL9259548 0.74 KCNA5 (0.50) KCNA5CYP3A4ALDH1A1CYP2A6CYP1A2
Hydrochloric Acid SCHEMBL27850698 0.74 KCNA5 (0.42) KCNA5CYP3A4ALDH1A1CYP2A6CYP1A2
SCHEMBL9502559 0.74 CHRM5 (0.42) CYP3A4ALDH1A1CYP2A6CYP1A2CYP2C19
SCHEMBL2455066 0.73 ALDH1A1 (0.39) CYP3A4ALDH1A1CYP2A6CYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119929783-A Hydrazide derivative based carbon dot and preparation method and application thereof 湖北工业大学 2025-05-06 CN claimed
CN-119039317-A Benzenedinitrogen-doped benzothiophene compound, and preparation method and application thereof 郑州大学 2024-11-29 CN claimed
CN-118206483-A Enhanced acylhydrazone Schiff base fluorescent probe, preparation method and application 西安石油大学 2024-06-18 CN claimed
CN-110563795-B Preparation method and application of diosgenin derivative containing 1,3,4 oxadiazole or 1,3,4 thiadiazole fragment 齐齐哈尔医学院 2022-02-01 CN claimed
CN-110523354-B Preparation method of microreactor containing immobilized catalyst 浙江大学 2021-01-19 CN claimed
CN-110698533-A Ursolic acid indoquinone derivative and preparation method and application thereof 南京林业大学 2020-01-17 CN claimed
CN-110563795-A Preparation method and application of diosgenin derivative containing 1,3,4 oxadiazole or 1,3,4 thiadiazole fragment 齐齐哈尔医学院 2019-12-13 CN claimed
CN-104177459-A 1,3,4-oxadiazole derivative containing glucosamine fragment as well as synthetic method and use of derivative HUAIHAI INST TECHNOLOGY 2014-12-03 CN claimed
CN-104151371-A N-acetylglucosamine-N'-acylamino thiourea as well as synthesis method and application thereof HUAIHAI INST TECHNOLOGY 2014-11-19 CN claimed
CN-103196904-A Aluminum ion colorimetric sensor preparation process and detection method UNIV ZHANGZHOU NORMAL 2013-07-10 CN claimed
CN-102010583-B High-molecular weight long-chain branched crystalline polylactic acid material and preparation method thereof UNIV ZHEJIANG 2012-12-19 CN claimed
CN-102002147-B Melt/solid phase polycondensation preparation method of high molecular weight high crystalline polylactic acid material UNIV ZHEJIANG 2012-05-30 CN claimed
CN-102127013-A 2-hydroxyl-1-naphthalene-3-pyridinecarbonylhydrazone and preparation method and applications thereof UNIV LIAOCHENG 2011-07-20 CN claimed
CN-102010583-A High-molecular weight long-chain branched crystalline polylactic acid material and preparation method thereof UNIV ZHEJIANG 2011-04-13 CN claimed
CN-102002147-A Melt/solid-phase polycondensation preparation method of polylactic acid material with high molecular weight and high crystallinity UNIV ZHEJIANG 2011-04-06 CN claimed
CN-100355748-C Aromatic hydrazide kind compound and its use in preparation of immune inhibitor INST OF TOXIC PHARMACOLOGY ACA (CN) 2007-12-19 CN claimed
CN-1752085-A Aromatic hydrazide kind compound and be used to prepare the purposes of immunosuppressor INST OF TOXIC PHARMACOLOGY ACA (CN) 2006-03-29 CN claimed
CN-1242000-A Farnesyl transferase inhibitors RHONE POULENC RORER SA (FR) 2000-01-19 CN claimed
CN-119929783-B Hydrazide derivative based carbon dot and preparation method and application thereof 湖北工业大学 2025-12-30 CN disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 WO disclosed