SCHEMBL9415851

SCHEMBL9415851

Cc1cc(N)ccc1N=Nc1ccc(N=Nc2cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)c2ccc(S(=O)(=O)O)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP2 Q9HC62 9/20 0.68
▸ SUMO2 P61956 6/20 0.68
▸ SUMO1 P63165 6/20 0.68
▸ SENP7 Q9BQF6 6/20 0.68
▸ ATIC P31939 1/20 0.68
▸ SENP3 Q9H4L4 8/20 0.54
▸ SENP1 Q9P0U3 8/20 0.54
▸ PHLPP2 Q6ZVD8 1/20 0.48
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ ENPP2 Q13822 3/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL10393442 0.93 SENP2 (0.77) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL8019234 0.92 SENP2 (0.60) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL11430079 0.85 SENP2 (0.53) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL9175459 0.84 SENP2 (0.55) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL10448647 0.84 SENP2 (0.55) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL9176760 0.84 SENP2 (0.56) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL10448727 0.84 SENP2 (0.56) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL9175036 0.84 SENP2 (0.56) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL10448225 0.84 SENP2 (0.56) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL9178857 0.83 SENP2 (0.62) SENP2SUMO2SUMO1SENP7ATIC

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
EP-0624630-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-17 — — EP disclosed
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