SCHEMBL31663320

SCHEMBL31663320

Cc1nc(COS(C)(=O)=O)nc2ncccc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.36
HCAR2 Q8TDS4 11/20 0.36
IDO1 P14902 4/20 0.35
AKT1 P31749 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL31663068 0.80 CYP1A2 (0.32) CYP1A2CYP3A4CYP2D6
SCHEMBL31663292 0.78 DHODH (0.41) DHODHHCAR2CYP1A2CYP3A4
SCHEMBL16478394 0.76 DHODH (0.39) DHODHHCAR2IDO1CYP2A6
SCHEMBL15414568 0.74 KDM4E (0.37) HCAR2AKT1CYP1A2CYP3A4CYP2D6
SCHEMBL709887 0.73 CYP1A2 (0.40) AKT1CYP1A2CYP3A4CYP2D6
SCHEMBL1228806 0.72 FFAR1 (0.41) AKT1CYP1A2CYP3A4CYP2D6
SCHEMBL14098208 0.70 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2D6
SCHEMBL15414235 0.69 XIAP (0.35) HCAR2CYP1A2CYP3A4
SCHEMBL21087260 0.68 NPSR1 (0.43) CYP1A2CYP3A4CYP2D6
SCHEMBL16515478 0.68 GABRA1 (0.38) AKT1CYP1A2CYP3A4CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149628-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE ASTRAZENECA AB (SE) 2025-07-17 WO disclosed