SCHEMBL354679

SCHEMBL354679

O=C(O)c1cnc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
HPGD P15428 1/20 1.00
ALOX15 P16050 1/20 1.00
HSD17B10 Q99714 1/20 1.00
SMN1; SMN2 Q16637 2/20 0.64
PTK2 Q05397 1/20 0.57
MGAM O43451 2/20 0.57
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL29623278 1.00 ALDH1A1 (1.00) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL28888127 0.98 ALDH1A1 (0.96) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
Water SCHEMBL29724498 0.98 ALDH1A1 (0.96) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL7808078 0.98 ALDH1A1 (0.96) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL3829125 0.91 ALDH1A1 (0.83) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL27547853 0.89 ALDH1A1 (0.80) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL8699526 0.89 ALDH1A1 (0.80) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL27347353 0.85 ALDH1A1 (0.74) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL5358823 0.83 ALDH1A1 (0.71) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL10435349 0.82 ALDH1A1 (0.70) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2

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 1621 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
US-12497636-B2 Recombinant Saccharomyces cerevisiae cells for cannabinoid production NATIONAL UNIVERSITY OF SINGAPORE (SG) 2025-12-16 US claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
CN-118032988-A Method for analyzing veterinary drug residues in milk in batches 浙江省农业科学院 2024-05-14 CN claimed
CN-117511537-A Double-emission fluorescence sensor for detecting and removing malachite green as well as preparation method and application thereof 湖北工业大学 2024-02-06 CN claimed
CN-117092227-A Method for rapidly screening multiple veterinary drug residues in milk 黑龙江飞鹤乳业有限公司 2023-11-21 CN claimed
CN-117050300-A Polylysine-based polymer adjuvant material, and preparation method and application thereof 中国科学院长春应用化学研究所 2023-11-14 CN claimed
CN-115028624-B Quinoxaline skeleton NN oxazoline ligand and synthetic method and application thereof 上海师范大学 2023-10-27 CN claimed
CN-111138478-B Tricyclohexyltin quinoxaline-2-formate complex, and preparation method and application thereof 衡阳师范学院 2023-07-14 CN claimed
CN-111116637-B Tris (2-methyl-2-phenylpropyl) stannquinoxaline-2-formate complex and preparation method and application thereof 衡阳师范学院 2023-06-16 CN claimed
WO-1997046746-A1 ACID-DYEABLE FIBRE DSM N.V. (NL) 1997-12-11 WO claimed
WO-1997027331-A9 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES 1997-10-09 WO claimed
WO-1997027331-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE, INC. (US) 1997-07-31 WO claimed
WO-1997027327-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL RAPIGENE, INC. (US) 1997-07-31 WO claimed
CN-1120336-A Imidazoloquinoxalinone derivatives as eaa antagonists BASF AG (DE) 1996-04-10 CN claimed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 WO claimed
US-4659712-A ELIMINATION OF METABOLITES FROM LIVER RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1987-04-21 US claimed
EP-0080941-B1 PYRIMIDO QUINOXALINES AND THEIR SALTS, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1986-09-17 EP claimed
US-4472401-A Pyrimido-quinoxalines having antiallergic properties ROUSSEL UCLAF (FR) 1984-09-18 US claimed
EP-0070518-A2 Imidazoquinoxaline compounds RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-01-26 EP claimed