SCHEMBL8729266

SCHEMBL8729266

COc1cc(N)ccc1N=Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 4/20 0.62
PTGS2 P35354 4/20 0.52
ENPP2 Q13822 2/20 0.50
RPS6KA3 P51812 1/20 0.50
PTGS1 P23219 3/20 0.49
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.46
THRB P10828 2/20 0.46
HPGD P15428 2/20 0.46
APEX1 P27695 2/20 0.46
MAPK1 P28482 2/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 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
SCHEMBL11292444 0.92 PHLPP2 (0.59) PHLPP2PTGS2ENPP2RPS6KA3PTGS1
SCHEMBL5705390 0.86 SENP2 (0.57) PHLPP2PTGS2ENPP2PTGS1HSD17B10
SCHEMBL3309127 0.85 PHLPP2 (0.63) PHLPP2PTGS2ENPP2RPS6KA3PTGS1
SCHEMBL3309129 0.85 PHLPP2 (0.63) PHLPP2PTGS2ENPP2RPS6KA3PTGS1
SCHEMBL5720614 0.84 MAPT (0.50) PHLPP2PTGS2PTGS1ALDH1A1KDM4E
SCHEMBL5720615 0.84 MAPT (0.50) PHLPP2PTGS2PTGS1ALDH1A1KDM4E
SCHEMBL9462136 0.84 PHLPP2 (0.56) PHLPP2PTGS2ENPP2RPS6KA3PTGS1
SCHEMBL11297422 0.84 PTGS2 (0.52) PHLPP2PTGS2ENPP2RPS6KA3PTGS1
SCHEMBL19235141 0.84 PHLPP2 (0.56) PHLPP2PTGS2ENPP2RPS6KA3PTGS1
SCHEMBL9462138 0.84 PHLPP2 (0.56) PHLPP2PTGS2ENPP2RPS6KA3PTGS1

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
US-5837013-A Preparation of colored melamine-formaldehyde condensation products BASF AKTIENGESELLSCHAFT (DE) 1998-11-17 US disclosed
US-5624466-A DYEING FIBERS, KNITS, NONWOVENS WITH AZO, ANTHRAQUINONE, COUMARIN, METHINE, QUINOPHTHALONE OR NITRO DYES BASF AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed