SCHEMBL9045395

SCHEMBL9045395

CNC(=O)Nc1ccccc1-c1nc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.56
▸ MAPT P10636 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ AGPAT2 O15120 2/20 0.48
▸ TP53 P04637 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PTGS2 P35354 1/20 0.46
▸ TOP2A P11388 1/20 0.46

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
SCHEMBL9042363 0.86 RAB9A (0.63) HSD17B10MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9040818 0.83 MAPT (0.52) HSD17B10MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL3337498 0.83 HSD17B10 (0.53) HSD17B10MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10291489 0.81 ALDH1A1 (0.51) HSD17B10MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL3345659 0.80 HSD17B10 (0.55) HSD17B10MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10004971 0.79 HSD17B10 (0.54) HSD17B10MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL29874275 0.76 TP53 (0.76) HSD17B10MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL24166923 0.75 KDM4E (0.72) HSD17B10MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9617482 0.75 PTGS2 (0.69) HSD17B10MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL13490141 0.75 PTGS2 (0.58) HSD17B10MAPTSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700906-A1 Heterocyclic derivatives of N-phenylamides BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-13 — — EP claimed
US-5496826-A ANTICONVULSANTS, MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-05 — — US claimed
EP-0700906-A1 Heterocyclic derivatives of N-phenylamides BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-13 — — EP disclosed
US-5496826-A ANTICONVULSANTS, MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-05 — — US disclosed
Send feedback