SCHEMBL7793115

SCHEMBL7793115

CC(=O)Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.64
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.48
APEX1 P27695 2/20 0.45
RAPGEF4 Q8WZA2 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
RECQL P46063 2/20 0.43
CASP6 P55212 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ELAVL1 Q15717 1/20 0.43
RAD51 Q06609 2/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
CA1 P00915 2/20 0.41

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
SCHEMBL7793111 1.00 ENPP2 (0.64) ENPP2PKMCYP2C19APEX1RAPGEF4
SCHEMBL7550076 0.91 ENPP2 (0.78) ENPP2PKMCYP2C19APEX1RAPGEF4
SCHEMBL7825431 0.91 ENPP2 (0.78) ENPP2PKMCYP2C19APEX1RAPGEF4
SCHEMBL30010201 0.85 RAD1 (0.46) ENPP2APEX1RAPGEF4MEN1KMT2A
SCHEMBL5770400 0.84 CYP19A1 (0.49) ENPP2APEX1RAPGEF4MEN1KMT2A
SCHEMBL5770397 0.84 CYP19A1 (0.49) ENPP2APEX1RAPGEF4MEN1KMT2A
SCHEMBL9360369 0.83 PRMT1 (0.52) ENPP2PKMAPEX1MEN1KMT2A
SCHEMBL9360377 0.83 PRMT1 (0.52) ENPP2PKMAPEX1MEN1KMT2A
SCHEMBL14358432 0.82 ENPP2 (0.91) ENPP2APEX1MEN1KMT2AALDH1A1
SCHEMBL9321055 0.82 ENPP2 (0.91) ENPP2APEX1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810265-B1 Substantive stilbene azo dyestuffs BAYER AG (DE) 2001-11-21 EP disclosed
EP-0657506-B1 Azo dyes, their preparation and use BAYER AG (DE) 1998-09-16 EP disclosed
US-5785718-A DYEING OR PRINTING MATERIALS CONTAINING CELLULOSE AND/OR AMIDE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-28 US disclosed
EP-0810265-A1 Substantive stilbene azo dyestuffs BAYER AG (DE) 1997-12-03 EP disclosed
US-5646257-A Azodyestuffs, their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1997-07-08 US disclosed
EP-0657506-A1 Azo dyes, their preparation and use BAYER AG (DE) 1995-06-14 EP disclosed
EP-0376032-B1 Stilbene dyes and films or sheets containing the same BAYER AG (DE) 1994-11-23 EP disclosed
US-5272259-A Stilbene dyestuffs and light-polarizing films or sheets containing stilbene BAYER AKTIENGESELLSCHAFT (DE) 1993-12-21 US disclosed
EP-0376032-A2 Stilbene dyes and films or sheets containing the same BAYER AG (DE) 1990-07-04 EP disclosed
US-4650859-A WOOL,POLYAMIDES, LEATHER CIBA-GEIGY CORPORATION (US) 1987-03-17 US disclosed