SCHEMBL4669963

SCHEMBL4669963

O=C(Nc1ccc(CCO)cc1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
MAPT P10636 1/20 0.63
PAX8 Q06710 1/20 0.53
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4640537 0.81 POLB (0.53) POLBMAPTPAX8ALDH1A1
SCHEMBL4640324 0.80 POLB (0.52) POLBMAPTPAX8ALDH1A1MEN1
SCHEMBL4669960 0.79 POLB (0.51) POLBMAPTPAX8ALDH1A1NPC1
SCHEMBL4638436 0.79 RAB9A (0.61) POLBMAPTALDH1A1RAB9A
SCHEMBL4638446 0.75 NPC1 (0.51) POLBMAPTALDH1A1MEN1NPC1
SCHEMBL16146240 0.74 POLB (0.63) POLBMAPTPAX8ALDH1A1MEN1
SCHEMBL31466652 0.73 POLB (0.70) POLBMAPTPAX8ALDH1A1
SCHEMBL30791422 0.73 POLB (0.70) POLBMAPTPAX8ALDH1A1
SCHEMBL4640689 0.73 BRD4 (0.47) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL4671962 0.72 PDGFRB (0.66) POLBMAPTMEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP claimed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO claimed