SCHEMBL6988928

SCHEMBL6988928

CN(c1ccc(N/C(=C2/C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.49
ALDH1A1 P00352 2/20 0.48
BRD2 P25440 3/20 0.48
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
STAT3 P40763 1/20 0.43
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6750851 1.00 BRD4 (0.49) BRD4ALDH1A1BRD2LMNAMEN1
SCHEMBL5424347 1.00 BRD4 (0.49) BRD4ALDH1A1BRD2LMNAMEN1
SCHEMBL6750882 0.88 BRD4 (0.55) BRD4ALDH1A1BRD2MEN1KMT2A
SCHEMBL6989942 0.88 BRD4 (0.55) BRD4ALDH1A1BRD2MEN1KMT2A
SCHEMBL6750881 0.88 BRD4 (0.55) BRD4ALDH1A1BRD2MEN1KMT2A
SCHEMBL5425691 0.88 BRD4 (0.51) BRD4BRD2MEN1KMT2AAURKA
SCHEMBL5171625 0.88 BRD4 (0.51) BRD4BRD2MEN1KMT2AAURKA
SCHEMBL5171632 0.88 BRD4 (0.51) BRD4BRD2MEN1KMT2AAURKA
SCHEMBL5624756 0.87 BRD4 (0.46) BRD4BRD2MEN1KMT2AAURKA
SCHEMBL5624761 0.87 BRD4 (0.46) BRD4BRD2MEN1KMT2AAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341760-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-09-10 EP claimed
WO-2002036564-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-10 WO claimed