SCHEMBL7488043

SCHEMBL7488043

CC(=O)N(CCCN)c1ccc(N/C(=C2\C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc32)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.45
MGAT2 Q10469 3/20 0.41
MGAT1 P26572 1/20 0.41
MGAT3 Q09327 1/20 0.41
LIMK2 P53671 2/20 0.40
BRD2 P25440 2/20 0.40
PRKDC P78527 1/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
PDPK1 O15530 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
SCHEMBL7488049 1.00 BRD4 (0.45) BRD4MGAT2MGAT1MGAT3LIMK2
SCHEMBL7498231 0.95 BRD4 (0.46) BRD4MGAT2MGAT1MGAT3LIMK2
SCHEMBL7498225 0.95 BRD4 (0.46) BRD4MGAT2MGAT1MGAT3LIMK2
SCHEMBL7490992 0.92 BRD4 (0.44) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7491002 0.92 BRD4 (0.44) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7491238 0.91 BRD4 (0.46) BRD4MGAT2MGAT1MGAT3LIMK2
SCHEMBL7494129 0.91 BRD4 (0.46) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7491234 0.91 BRD4 (0.46) BRD4MGAT2MGAT1MGAT3LIMK2
SCHEMBL7494125 0.91 BRD4 (0.46) BRD4MGAT2MGAT1MGAT3BRD2
SCHEMBL7491130 0.90 BRD4 (0.45) 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