SCHEMBL11655757

SCHEMBL11655757

CCN(CCC#N)c1cccc(C)c1.Nc1cccc(S(N)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ GFER P55789 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL6889131 0.82 GFER (0.52) GFERALDH1A1KDM4EKMT2AMEN1
SCHEMBL15264299 0.81 ALDH1A1 (0.47) GFERALDH1A1KDM4EKMT2AMEN1
SCHEMBL11655597 0.78 ALDH1A1 (0.43) GFERALDH1A1KDM4EKMT2AMEN1
SCHEMBL11655314 0.77 ALDH1A1 (0.58) CA12CA1CA2CA9CA4
SCHEMBL2853408 0.76 KMT2A (0.53) CA2GFERALDH1A1KDM4EKMT2A
SCHEMBL11658806 0.76 KMT2A (0.43) GFERALDH1A1KDM4EKMT2AMEN1
SCHEMBL8926268 0.75 GFER (0.43) GFERALDH1A1KDM4EKMT2AMEN1
SCHEMBL11657237 0.74 ALDH1A1 (0.43) GFERALDH1A1KDM4EKMT2AMEN1
SCHEMBL11657408 0.74 ALDH1A1 (0.41) GFERALDH1A1KDM4EKMT2AMEN1
SCHEMBL11765475 0.74 CNR2 (0.50) CA12CA1CA2CA9CNR2

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-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 — — US disclosed
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