SCHEMBL5327112

SCHEMBL5327112

O=C(c1ccc(-c2ccc(O)nn2)cc1)N1CCN([S+]([O-])c2ccc3cc[nH]c3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 19/20 0.49
FASN P49327 1/20 0.41

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
SCHEMBL5327115 0.80 GHSR (0.50) GHSR
SCHEMBL5327740 0.69 ABL1 (0.46)
SCHEMBL14028477 0.67 GHSR (1.00) GHSR
SCHEMBL5327658 0.66 L3MBTL1 (0.42)
SCHEMBL5326524 0.65 L3MBTL1 (0.54) GHSR
SCHEMBL17443852 0.64 GHSR (0.75) GHSRFASN
SCHEMBL29990457 0.64 GHSR (0.67) GHSR
SCHEMBL3235960 0.64 GHSR (0.67) GHSR
SCHEMBL5093870 0.64 F10 (0.66)
SCHEMBL5324846 0.64 HRH3 (0.54) GHSR

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 disclosed