SCHEMBL11234276

SCHEMBL11234276

CCS(=O)(=O)c1ccc(N)c(O)c1.Cc1cc(=O)n(-c2ccccc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.47
▸ MAPT P10636 9/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ GAA P10253 4/20 0.47
▸ HTT P42858 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ LMNA P02545 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
Questiomycin B SCHEMBL11210024 0.81 MAPT (0.59) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL11695966 0.80 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL11417170 0.80 MAPT (0.50) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL11222680 0.76 GAA (0.52) ALDH1A1MAPTKMT2AKDM4EGAA
Dapsone SCHEMBL11064190 0.76 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL8418696 0.76 MAPT (0.59) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL11822938 0.76 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AKDM4EGAA
Methyl Alcohol SCHEMBL1028813 0.75 MAPT (0.69) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL5425653 0.74 ALDH1A1 (0.68) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL9150171 0.74 ALDH1A1 (0.68) ALDH1A1MAPTKMT2AKDM4EGAA

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-0000331-B1 METHOD OF MASS-DYEING LINEAR POLYAMIDES USING DYESALTS FROM 1:2 CHROMIUM COMPLEXES OF MONOAZODYES; THE FIBRES OBTAINED THEREFROM CIBA-GEIGY AG (CH) 1983-12-28 — — EP disclosed
US-4263197-A AMINE SALTS OF CHROMIUM COMPLEXES OF MONOAZO DYES CIBA-GEIGY CORPORATION (US) 1981-04-21 — — US disclosed
EP-0000331-A1 Method of mass-dyeing linear polyamides using dyesalts from 1:2 chromium complexes of monoazodyes; the fibres obtained therefrom CIBA-GEIGY AG (CH) 1979-01-24 — — EP disclosed
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