SCHEMBL8460916

SCHEMBL8460916

O=C(c1ccc(-c2ccccc2)cc1)c1c[nH]c(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ HSP90AA1 P07900 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ ALDH1A1 P00352 4/20 0.56
▸ GAA P10253 2/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HTT P42858 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ CDC25B P30305 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ NOTUM Q6P988 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ HPGD P15428 1/20 0.48
▸ DHODH Q02127 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 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
SCHEMBL2419793 0.90 ALDH1A1 (0.68) RAB9ASMN1; SMN2NPC1HSP90AA1PKM
SCHEMBL10938127 0.87 DHODH (0.51) RAB9ASMN1; SMN2NPC1HSP90AA1PKM
SCHEMBL29190958 0.81 HTT (0.73) RAB9ASMN1; SMN2NPC1HSP90AA1PKM
SCHEMBL29190948 0.81 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2NPC1HSP90AA1PKM
SCHEMBL29190961 0.81 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1HSP90AA1PKM
SCHEMBL23452267 0.80 ALDH1A1 (0.49) RAB9ASMN1; SMN2NPC1HSP90AA1PKM
SCHEMBL1127328 0.78 NOTUM (0.70) RAB9AALDH1A1GAAMAPTNOTUM
SCHEMBL232724 0.78 RAB9A (0.74) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL29190947 0.78 RAB9A (0.60) RAB9ASMN1; SMN2NPC1HSP90AA1PKM
SCHEMBL29191041 0.78 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1HSP90AA1PKM

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
US-5859042-A ALOPECIA, ACNE, DISEASES OF THE PROSTATE GLANDS ONO PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 — — US claimed
EP-0783488-A4 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO (JP) 1998-01-07 — — EP claimed
EP-0783488-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-07-16 — — EP claimed
WO-1996010013-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-04-04 — — WO claimed
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