SCHEMBL9681604

SCHEMBL9681604

CC(=O)Nc1ccc(S(=O)(=O)O)c(C=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.61
ALDH1A1 P00352 3/20 0.53
CDK1 P06493 1/20 0.49
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PABPC1 P11940 1/20 0.43
MAOA P21397 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATAD2 Q6PL18 1/20 0.42
CECR2 Q9BXF3 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
SCHEMBL6432425 0.88 ENPP2 (0.74) ENPP2ALDH1A1CDK1KDM4EMEN1
SCHEMBL9321055 0.79 ENPP2 (0.91) ENPP2ALDH1A1CDK1KDM4EMEN1
SCHEMBL14358432 0.79 ENPP2 (0.91) ENPP2ALDH1A1CDK1KDM4EMEN1
SCHEMBL9459333 0.79 ENPP2 (0.55) ENPP2ALDH1A1CDK1KDM4EMEN1
SCHEMBL14502114 0.79 ALDH1A1 (0.76) ENPP2ALDH1A1CDK1MEN1NPC1
SCHEMBL16272370 0.79 ENPP2 (0.57) ENPP2ALDH1A1CDK1KDM4EMEN1
SCHEMBL7055271 0.79 MEN1 (0.50) ENPP2ALDH1A1KDM4EMEN1NPC1
SCHEMBL29047638 0.78 POLB (0.56) ENPP2ALDH1A1CDK1KDM4EMEN1
Hydrochloric Acid SCHEMBL7531560 0.78 ALDH1A1 (0.73) ENPP2ALDH1A1CDK1MEN1NPC1
SCHEMBL1755227 0.78 ENPP2 (0.56) ENPP2ALDH1A1CDK1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128455-A WATER-SOLUBLE FIBER-REACTIVE DYES, CONTAINING AN AMINO-SUBSTITUTED 5-TRIAZINE RING WITH A FIBER-REACTIVE GROUP OF THE VINYLSULFONE SERIES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-07 US disclosed
EP-0374911-A1 Water-soluble, fibre-reactive dyes, methods for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-27 EP disclosed
US-4912244-A Vinylsulfonylalkylamino-alkylamines as intermediates for the preparation of fiber-reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-27 US disclosed
US-4782140-A Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge CIBA-GIEGY CORPORATION (US) 1988-11-01 US disclosed
EP-0144766-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-10-05 EP disclosed
US-4754023-A Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed
EP-0159292-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-01-07 EP disclosed
EP-0159292-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
EP-0144766-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed