SCHEMBL25804875

SCHEMBL25804875

CC(=O)c1ccc2nc(C)sc2c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 6/20 0.46
KDM4E B2RXH2 5/20 0.43
HTT P42858 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.42
PPARG P37231 3/20 0.40
NR2E3 Q9Y5X4 3/20 0.40
NCOR2 Q9Y618 3/20 0.40
HPGD P15428 2/20 0.40
NCOA2 Q15596 2/20 0.40
NCOA1 Q15788 2/20 0.40
NCOA3 Q9Y6Q9 2/20 0.40
PTK2B Q14289 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
STAT1 P42224 1/20 0.40
LDHA P00338 1/20 0.40
MTNR1A P48039 4/20 0.39

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
SCHEMBL30521365 1.00 RAB9A (0.46) RAB9ASMN1; SMN2NPC1KDM4EHTT
SCHEMBL17859477 0.89 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1KDM4EHTT
SCHEMBL30626872 0.76 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1KDM4EHTT
SCHEMBL26264545 0.76 RAB9A (0.44) RAB9ASMN1; SMN2NPC1KDM4EHTT
SCHEMBL24603565 0.76 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1KDM4EHTT
SCHEMBL30521270 0.73 RAB9A (0.44) RAB9ASMN1; SMN2NPC1KDM4EHTT
SCHEMBL12596659 0.73 RAB9A (0.44) RAB9ASMN1; SMN2NPC1KDM4EHTT
SCHEMBL30521643 0.72 NPC1 (0.37) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL25804847 0.72 NPC1 (0.37) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL15001036 0.72 RAB9A (0.57) RAB9ASMN1; SMN2NPC1KDM4EHTT

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-2023125681-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2023-07-06 WO disclosed