SCHEMBL8754086

SCHEMBL8754086

Nc1ccc(N=Nc2ccc3cc(S(=O)(=O)O)ccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
ALDH1A1 P00352 3/20 0.53
NT5E P21589 2/20 0.53
TSHR P16473 2/20 0.53
SUMO2 P61956 1/20 0.52
SUMO1 P63165 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP2 Q9HC62 1/20 0.52
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 3/20 0.49
CYP1A2 P05177 1/20 0.49
HSD17B10 Q99714 4/20 0.49
CASP6 P55212 2/20 0.49
CYP2C19 P33261 2/20 0.49
PTPN11 Q06124 2/20 0.48
PTPRC P08575 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL5752505 0.84 TSHR (0.75) CA12CA2CA9ALDH1A1NT5E
SCHEMBL1485997 0.84 TSHR (0.75) CA12CA2CA9ALDH1A1NT5E
SCHEMBL3823917 0.84 CASP6 (0.71) CA12CA2CA9ALDH1A1NT5E
SCHEMBL11590196 0.83 TSHR (0.72) CA12CA2CA9ALDH1A1NT5E
SCHEMBL28543329 0.83 TSHR (0.72) CA12CA2CA9ALDH1A1NT5E
SCHEMBL2394479 0.83 TSHR (0.72) CA12CA2CA9ALDH1A1NT5E
SCHEMBL5888710 0.82 CA12 (0.73) CA12CA2CA9ALDH1A1NT5E
SCHEMBL5888705 0.82 CA12 (0.73) CA12CA2CA9ALDH1A1NT5E
SCHEMBL158630 0.81 NT5E (0.66) ALDH1A1NT5ETSHRCYP2C9HSD17B10
SCHEMBL29670171 0.81 NT5E (0.66) ALDH1A1NT5ETSHRCYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684288-B1 Process for the preparation of aminoazo dyes BASF AG (DE) 1997-02-12 EP disclosed
EP-0684288-A1 Process for the preparation of aminoazo dyes BASF Aktiengesellschaft (DE) 1995-11-29 EP disclosed