SCHEMBL7494041

SCHEMBL7494041

CN(C)CCN(c1ccc(NC(=C2C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.45
MGAT2 Q10469 4/20 0.43
MGAT1 P26572 2/20 0.43
MGAT3 Q09327 2/20 0.43
BRD2 P25440 2/20 0.40
LIMK2 P53671 1/20 0.39
PRKDC P78527 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
SRC P12931 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7494033 1.00 BRD4 (0.45) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7491753 0.92 MGAT2 (0.43) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7491747 0.92 MGAT2 (0.43) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7491538 0.92 BRD4 (0.45) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7491536 0.92 BRD4 (0.45) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7496646 0.90 BRD4 (0.40) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7496119 0.89 BRD4 (0.43) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7496112 0.89 BRD4 (0.43) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7491238 0.88 BRD4 (0.46) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7491234 0.88 BRD4 (0.46) BRD4MGAT2MGAT1MGAT3BRD2

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-1224169-A2 PRODUCTION OF 5-SUBSTITUTED INDOLINONES AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027080-A2 5-SUBSTITUTED INDOLINONES AND USE THEREOF AS KINASE AND CYCLIN/CDK COMPLEX INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed