SCHEMBL7500740

SCHEMBL7500740

Clc1ccc(-c2noc(CBr)n2)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.40
PTPN1 P18031 2/20 0.40
NOTUM Q6P988 2/20 0.37
PDE4B Q07343 3/20 0.36
PDE4D Q08499 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCL1 Q07820 1/20 0.34
PLCG2 P16885 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL7577573 0.84 NOTUM (0.55) SIRT2PTPN1NOTUMPDE4BPDE4D
SCHEMBL202064 0.72 RAB9A (0.61) MAPTNPC1RAB9ASMN1; SMN2MCL1
SCHEMBL201986 0.71 SIRT2 (0.71) SIRT2NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL11759218 0.71 KDM4E (0.35) PDE4BPDE4DKDM4EMAPTNPC1
SCHEMBL3369897 0.69 NOTUM (0.38) NOTUMKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7498466 0.69 KDM4E (0.49) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8306306 0.69 KDM4E (0.42) SIRT2PTPN1NOTUMKDM4EMAPT
SCHEMBL220431 0.69 F10 (0.54) NOTUM
SCHEMBL6041725 0.69 ATM (0.58) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30098388 0.69 ATM (0.58) MAPTNPC1RAB9ASMN1; SMN2

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-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed