SCHEMBL4640689

SCHEMBL4640689

Cc1noc(C)c1-c1ccc(NC(=O)C(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.47
BRD2 P25440 1/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4669960 0.75 POLB (0.51) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL4638436 0.75 RAB9A (0.61) POLBMAPTRAB9AALDH1A1
SCHEMBL4640537 0.74 POLB (0.53) POLBMAPTPDGFRBKDRALDH1A1
SCHEMBL10986559 0.74 KCNH2 (0.44) BRD4BRD2POLBMAPTRAB9A
SCHEMBL27880474 0.74 BRD4 (0.62) BRD4BRD2
SCHEMBL4638446 0.74 NPC1 (0.51) POLBMAPTNPC1RAB9APDGFRB
SCHEMBL4640324 0.74 POLB (0.52) POLBMAPTALDH1A1
SCHEMBL10924753 0.73 BRD4 (0.47) BRD4BRD2POLBMAPTNPC1
SCHEMBL4669963 0.73 POLB (0.63) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL10986271 0.73 ALDH1A1 (0.45) ALDH1A1

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