SCHEMBL9697630

SCHEMBL9697630

NC(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.53
TIMP3 P35625 5/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 3/20 0.49
USP2 O75604 2/20 0.49
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 2/20 0.49
APEX1 P27695 1/20 0.45
HPSE Q9Y251 4/20 0.43
NSD2 O96028 3/20 0.43
PRMT1 Q99873 2/20 0.43
CYP1A2 P05177 2/20 0.43
ENPP3 O14638 1/20 0.43
ENTPD3 O75355 1/20 0.43
NR1I2 O75469 1/20 0.43
PRKD3 O94806 1/20 0.43
TDP2 O95551 1/20 0.43
CBX7 O95931 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
SCHEMBL8417845 0.89 TIMP3 (0.53) NT5ETIMP3MEN1KMT2AHSD17B10
SCHEMBL942276 0.86 CASP6 (0.51) NT5ETIMP3MEN1KMT2AHSD17B10
SCHEMBL4649703 0.85 APEX1 (0.66) TIMP3MEN1KMT2AHSD17B10USP2
SCHEMBL30818027 0.85 APEX1 (0.66) TIMP3MEN1KMT2AHSD17B10USP2
SCHEMBL6562746 0.83 TIMP3 (0.50) NT5ETIMP3MEN1KMT2AHSD17B10
SCHEMBL10913626 0.83 TIMP3 (0.48) NT5ETIMP3MEN1KMT2AHSD17B10
SCHEMBL10943480 0.83 TIMP3 (0.48) NT5ETIMP3MEN1KMT2AHSD17B10
SCHEMBL10787792 0.83 TIMP3 (0.48) NT5ETIMP3MEN1KMT2AHSD17B10
SCHEMBL8114507 0.83 TIMP3 (0.48) NT5ETIMP3MEN1KMT2AHSD17B10
SCHEMBL6561310 0.83 TIMP3 (0.62) NT5ETIMP3MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116957-A REACTIVE AZO DYESTUFFS HAVING A FLUOROTRIAZINE GROUP AND IMPROVED FIXATION PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
US-4918183-A Monoazo dyes, process for their preparation, and the use thereof CIBA-GEIGY CORPORATION (US) 1990-04-17 US disclosed
US-4678611-A Novel dyestuff intermediates and use thereof for the manufacture of novel azo dyes CIBA-GEIGY CORPORATION (US) 1987-07-07 US disclosed
US-4602084-A Monoazo dyes containing a 4-substituted-2-azo-1,1'-diphenylsulfone component CIBA-GEIGY CORPORATION (US) 1986-07-22 US disclosed
US-4545785-A FIBER-REACTIVE DYES FOR CELLULOSE CIBA-GEIGY CORPORATION (US) 1985-10-08 US disclosed
EP-0122881-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1984-10-24 EP disclosed
US-4360460-A Novel azo dyes having a 4-sulfo-5-aminomethyl naphthalene coupling moiety CIBA-GEIGY AG (CH) 1982-11-23 US disclosed
EP-0013936-B1 REACTIVE AZO DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING MATERIALS CONTAINING HYDROXYL GROUPS AND AMIDE GROUPS BAYER AG (DE) 1982-09-22 EP disclosed
US-4288363-A Novel azo dyes having 2-amino-5-aminomethyl-7-sulfo naphthalene coupling moiety CIBA-GEIGY CORPORATION (US) 1981-09-08 US disclosed
EP-0013936-A1 Reactive azo dyestuffs, their preparation and their use in dyeing materials containing hydroxyl groups and amide groups BAYER AG (DE) 1980-08-06 EP disclosed
US-4126609-A AZO DYESTUFF WITH A FIBER-REACTIVE GROUP ATTACHED TO A NAPHTHALENE SULPHONIC ACID COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1978-11-21 US disclosed
US-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed