SCHEMBL9462136

SCHEMBL9462136

COc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)c(OC)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 3/20 0.56
BRD4 O60885 1/20 0.49
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
RPS6KA3 P51812 1/20 0.47
POLB P06746 2/20 0.46
CYP2D6 P10635 1/20 0.46
ENPP2 Q13822 2/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44
F2 P00734 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
SUMO2 P61956 1/20 0.43
SUMO1 P63165 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP2 Q9HC62 1/20 0.43
CA1 P00915 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
SCHEMBL9462138 1.00 PHLPP2 (0.56) PHLPP2BRD4PTGS2PTGS1RPS6KA3
SCHEMBL19235141 1.00 PHLPP2 (0.56) PHLPP2BRD4PTGS2PTGS1RPS6KA3
SCHEMBL16454194 0.93 PHLPP2 (0.55) PHLPP2BRD4PTGS2PTGS1RPS6KA3
SCHEMBL9462033 0.90 ENPP2 (0.54) PHLPP2BRD4PTGS2PTGS1RPS6KA3
SCHEMBL4338493 0.90 PHLPP2 (0.54) PHLPP2BRD4PTGS2PTGS1RPS6KA3
SCHEMBL4338500 0.90 PHLPP2 (0.54) PHLPP2BRD4PTGS2PTGS1RPS6KA3
SCHEMBL6123773 0.90 ENPP2 (0.54) PHLPP2BRD4PTGS2PTGS1RPS6KA3
SCHEMBL12758033 0.88 ENPP2 (0.54) PHLPP2BRD4PTGS2PTGS1RPS6KA3
SCHEMBL11313998 0.88 ENPP2 (0.43) PHLPP2BRD4PTGS2PTGS1POLB
SCHEMBL11682791 0.86 SENP3 (0.57) PHLPP2BRD4PTGS2PTGS1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183881-A Chemical intermediate for metallized dyes BAYER AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed
US-4668774-A 2-ethylhexylamine salts of anionic monoazo dyes BASF AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed
US-4118381-A COLORFASTNESS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed