SCHEMBL5327740

SCHEMBL5327740

O=C(c1ccc(-c2ccc(=O)[nH]n2)cc1)N1CCN([S+]([O-])c2ccc3c(Br)n[nH]c3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.46
BCR P11274 10/20 0.46
HRH3 Q9Y5N1 1/20 0.39
JAK2 O60674 1/20 0.36
MAPT P10636 1/20 0.35
MAPK8 P45983 3/20 0.34
MAPK10 P53779 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAP4K1 Q92918 1/20 0.33

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
SCHEMBL5327745 0.81 MAPT (0.52) ABL1BCRMAPTALDH1A1
SCHEMBL5326485 0.71 ALDH1A1 (0.48) ABL1BCRMAPTALDH1A1
SCHEMBL5296074 0.69 HRH3 (0.50) ABL1BCRHRH3JAK2
SCHEMBL5327112 0.69 GHSR (0.49)
SCHEMBL6152664 0.67 F10 (0.65) MAPTALDH1A1
SCHEMBL5326524 0.65 L3MBTL1 (0.54) MAPTALDH1A1
SCHEMBL5322343 0.64 ALDH1A1 (0.53) MAPTALDH1A1
SCHEMBL29431362 0.64 ABL1 (0.48) ABL1BCRMAPK8MAPK10
SCHEMBL22314749 0.64 ABL1 (0.48) ABL1BCRMAPK8MAPK10
SCHEMBL12773377 0.63 HRH3 (0.53) HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007008145-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO claimed