SCHEMBL3813

SCHEMBL3813

[CH2]c1ccc2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.52
CYP1A2 P05177 2/20 0.52
NOS2 P35228 1/20 0.52
BACE1 P56817 1/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 3/20 0.48
GLA P06280 1/20 0.48
ACHE P22303 1/20 0.48
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MGAM O43451 1/20 0.45
AR P10275 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL31107067 0.74 NCF1 (0.52) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL29374931 0.72 RAB9A (0.64) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL170196 0.72 RAB9A (0.64) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL28570 0.72 KDM4E (0.54) CYP1A2ALDH1A1MAPTHPGDNPC1
SCHEMBL34463709 0.70 RAB9A (0.61) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL10866984 0.70 RAB9A (0.61) NCF1CYP1A2NOS2BACE1CA12
Hydrochloric Acid SCHEMBL31243061 0.70 ALDH1A1 (0.63) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL30883993 0.70 RAB9A (0.61) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL31365172 0.70 RAB9A (0.61) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL7648132 0.70 NCF1 (0.54) NCF1CYP1A2NOS2BACE1CA12

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

Appears in 5344 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN claimed
CN-117986271-A Cell cycle regulator, and pharmaceutical preparation and application thereof 贵州大学 2024-05-07 CN claimed
WO-2024089225-A1 PROCESS FOR THE SYNTHESIS OF METHOXY SUBSTITUTED BENZALDEHYDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-05-02 WO claimed
CN-117658981-A Isatin derivative, pharmaceutically acceptable salt, pharmaceutical composition and application 武汉大学人民医院(湖北省人民医院) 2024-03-08 CN claimed
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US claimed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US claimed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US claimed
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents SYNGENTA CROP PROTECTION AG (CH) 2022-03-15 US claimed
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP claimed
EP-3728237-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP claimed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 US claimed
EP-0270074-A2 Carbamoyl imidazole derivatives, process for their preparation and their use as fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-08 EP claimed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 US claimed
US-4659720-A POULTRY ANTIPROTOZOA AGENT MERCK & CO., INC. (US) 1987-04-21 US claimed
EP-0113570-B1 5-(AMINO OR SUBSTITUTED AMINO) IMIDAZOLES MERCK & CO. INC. (US) 1987-02-25 EP claimed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 EP claimed
US-4622330-A Antiprotozoal 3-amino or substituted amino pyrazoles MERCK & CO., INC. (US) 1986-11-11 US claimed
EP-0151528-A2 5-(Amino or substituted amino)-1,2,3-triazoles MERCK & CO. INC. (US) 1985-08-14 EP claimed
EP-0113570-A1 5-(Amino or substituted amino) imidazoles MERCK & CO. INC. (US) 1984-07-18 EP claimed
US-4092474-A Cephalosporins having a metaloxy group in 3-substituent SHIONOGI & CO., LTD. (JA) 1978-05-30 US claimed