SCHEMBL11291036

SCHEMBL11291036

Nc1ccc(CCCCS(=O)(=O)CCCCc2ccc(N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.57
RECQL P46063 1/20 0.57
GFER P55789 1/20 0.52
CA2 P00918 7/20 0.46
MGLL Q99685 2/20 0.46
MAOA P21397 2/20 0.45
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11281060 0.85 RECQL (0.69) MAOBRECQLGFERCA2MAOA
SCHEMBL5262164 0.84 MAOB (0.53) MAOBRECQLGFERCA2MGLL
SCHEMBL5336202 0.82 MAOB (0.52) MAOBRECQLGFERCA2MGLL
SCHEMBL3111509 0.82 MAOB (0.80) MAOBRECQLGFERMAOAALDH1A1
SCHEMBL4016540 0.79 MAOB (0.76) MAOBRECQLGFERMAOAALDH1A1
SCHEMBL12110816 0.79 MAOB (0.76) MAOBRECQLGFERMAOAALDH1A1
SCHEMBL4020067 0.79 MAOB (0.76) MAOBRECQLGFERMAOAALDH1A1
SCHEMBL4021564 0.79 MAOB (0.76) MAOBRECQLGFERMAOAALDH1A1
SCHEMBL4022346 0.79 MAOB (0.76) MAOBRECQLGFERMAOAALDH1A1
SCHEMBL20251158 0.79 MAOB (0.76) MAOBRECQLGFERMAOAALDH1A1

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
US-4329283-A DISPERSE DYES BAYER AKTIENGESELLSCHAFT (DE) 1982-05-11 US disclosed