SCHEMBL9495391

SCHEMBL9495391

C#CCS(=O)(=O)c1ccc2cc(NC(C)=O)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.49
TNNI3 P19429 1/20 0.49
TNNT2 P45379 1/20 0.49
RAB9A P51151 1/20 0.49
TNNC1 P63316 1/20 0.49
RUNX1 Q01196 1/20 0.49
CBFB Q13951 1/20 0.49
PKM P14618 3/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46

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
SCHEMBL9497627 0.88 ALDH1A1 (0.61) TP53MAPTKMT2AKDM4EALDH1A1
SCHEMBL9518669 0.81 ALDH1A1 (0.57) TP53MAPTKMT2AKDM4EALDH1A1
SCHEMBL9746587 0.80 ALDH1A1 (0.54) TP53MAPTKMT2AKDM4EALDH1A1
SCHEMBL948303 0.79 KDM4E (0.78) TP53MAPTKMT2AKDM4EALDH1A1
SCHEMBL950400 0.79 SNCA (0.59) MAPTKMT2AKDM4EPOLBMEN1
SCHEMBL8577441 0.78 MEN1 (0.68) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL949134 0.77 CA2 (0.53) MAPTKMT2AKDM4EALDH1A1POLB
Water SCHEMBL11035834 0.77 SNCA (0.58) MAPTKMT2AKDM4EPOLBMEN1
SCHEMBL8784484 0.77 SNCA (0.58) MAPTKMT2AKDM4EPOLBMEN1
SCHEMBL8784476 0.77 CA2 (0.53) MAPTKMT2AKDM4EALDH1A1POLB

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
JP-4290863-A None JP disclosed
US-5225595-A Chemical intermediates for reactive dyes BASF AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
JP-H04290863-A SULFONYL COMPOUND BASF AG 1992-10-15 JP disclosed