SCHEMBL9813147

SCHEMBL9813147

COc1ccc2c(c1)S(=O)(=O)c1cc(O)c(OC)cc1N2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 1/20 0.63
POLB P06746 1/20 0.63
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
SNCA P37840 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MAOA P21397 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NFE2L2 Q16236 1/20 0.36
MAPK1 P28482 2/20 0.36
ERN1 O75460 1/20 0.36

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
SCHEMBL9813204 0.78 KMT2A (0.53) MAPTKMT2AKDM4EPOLBCA12
SCHEMBL9813306 0.71 SNCA (0.71) MAPTKMT2ACA12CA1CA2
SCHEMBL8878883 0.69 MAPT (0.72) MAPTKMT2AKDM4EPOLBCA12
SCHEMBL9007414 0.69 MAPT (0.70) MAPTKMT2AKDM4EPOLBCA12
SCHEMBL4266841 0.67 KDM4E (0.56) MAPTKMT2AKDM4EPOLBCA12
SCHEMBL9829945 0.67 KDM4E (0.56) MAPTKMT2AKDM4EPOLBCA12
SCHEMBL3760039 0.66 CA12 (1.00) MAPTKMT2AKDM4EPOLBCA12
SCHEMBL29766352 0.66 CA12 (1.00) MAPTKMT2AKDM4EPOLBCA12
SCHEMBL595280 0.66 MAOB (0.64) MAPTKMT2AKDM4ECA12CA1
SCHEMBL581508 0.66 TUBB4A (0.63) MAPTKMT2AKDM4ECA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138481-B1 LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA INC. (CA) 1991-06-26 EP disclosed
US-4845083-A PHENOTHIAZINE DERIVATIVES AND ANALOGS MERCK FROSST CANADA, INC. (CA) 1989-07-04 US disclosed
EP-0138481-A2 Leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1985-04-24 EP disclosed