SCHEMBL7550076

SCHEMBL7550076

CC(=O)Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.78
RAD51 Q06609 3/20 0.50
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 4/20 0.48
RAPGEF4 Q8WZA2 1/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
RECQL P46063 2/20 0.46
CASP6 P55212 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ELAVL1 Q15717 1/20 0.46
APEX1 P27695 2/20 0.45
PHLPP2 Q6ZVD8 1/20 0.42
NSD2 O96028 1/20 0.42

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
SCHEMBL7825431 1.00 ENPP2 (0.78) ENPP2RAD51PKMCYP2C19ALDH1A1
SCHEMBL14358432 0.92 ENPP2 (0.91) ENPP2RAD51ALDH1A1KDM4EMAPT
SCHEMBL9321055 0.92 ENPP2 (0.91) ENPP2RAD51ALDH1A1KDM4EMAPT
SCHEMBL7793115 0.91 ENPP2 (0.64) ENPP2RAD51PKMCYP2C19ALDH1A1
SCHEMBL7793111 0.91 ENPP2 (0.64) ENPP2RAD51PKMCYP2C19ALDH1A1
SCHEMBL28171088 0.85 ENPP2 (0.80) ENPP2RAD51ALDH1A1KDM4EMAPT
SCHEMBL14358754 0.84 ENPP2 (0.74) ENPP2RAD51CYP2C19ALDH1A1KDM4E
SCHEMBL14358757 0.84 ENPP2 (0.74) ENPP2RAD51CYP2C19ALDH1A1KDM4E
SCHEMBL14620709 0.84 ENPP2 (0.78) ENPP2RAD51ALDH1A1KDM4EMAPT
SCHEMBL11421159 0.84 ENPP2 (0.78) ENPP2RAD51ALDH1A1KDM4EMAPT

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
WO-2002055488-A1 ASYMMETRIC DIVINYLSTILBENE-SULPHONIC ACIDS CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2002-07-18 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0657506-B1 Azo dyes, their preparation and use BAYER AG (DE) 1998-09-16 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
US-4129736-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed
US-4079051-A 4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs CIBA-GEIGY CORPORATION (US) 1978-03-14 US disclosed
US-4033944-A Fibre-reactive hydroxycycloalkenyl-halo triazinyl containing dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed
US-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed