SCHEMBL9174992

SCHEMBL9174992

Nc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
NT5E P21589 1/20 0.49
HSD17B10 Q99714 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PHLPP2 Q6ZVD8 3/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL8746181 1.00 RPS6KA3 (0.50) RPS6KA3POLBCYP2D6PTGS1PTGS2
SCHEMBL11128580 0.84 ENPP2 (0.54) RPS6KA3POLBCYP2D6PTGS1PTGS2
SCHEMBL27996761 0.84 RPS6KA3 (0.55) RPS6KA3POLBCYP2D6PTGS1PTGS2
SCHEMBL944050 0.84 ENPP2 (0.54) RPS6KA3POLBCYP2D6PTGS1PTGS2
SCHEMBL6123725 0.82 ATIC (0.58) RPS6KA3POLBCYP2D6PTGS1PTGS2
SCHEMBL11650087 0.82 MAPT (0.56) PTGS1PTGS2ALDH1A1TSHRHSD17B10
SCHEMBL11650083 0.82 MAPT (0.56) PTGS1PTGS2ALDH1A1TSHRHSD17B10
SCHEMBL11151340 0.81 CYP2C9 (0.57) RPS6KA3POLBCYP2D6PTGS1PTGS2
SCHEMBL11151328 0.81 CYP2C9 (0.57) RPS6KA3POLBCYP2D6PTGS1PTGS2
SCHEMBL5752505 0.81 TSHR (0.75) RPS6KA3POLBCYP2D6PTGS1PTGS2

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-5424403-A Preparation of aminoazo dyes BASF AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed