SCHEMBL7496646

SCHEMBL7496646

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MGAT2 Q10469 3/20 0.39
MGAT1 P26572 1/20 0.39
MGAT3 Q09327 1/20 0.39
GAA P10253 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PRKDC P78527 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
BRD2 P25440 1/20 0.36
ALDH1A1 P00352 2/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35

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 0.90 BRD4 (0.45) BRD4PKMKMT2AMGAT2MGAT1
SCHEMBL7494041 0.90 BRD4 (0.45) BRD4PKMKMT2AMGAT2MGAT1
SCHEMBL7496119 0.88 BRD4 (0.43) BRD4LMNAKMT2ATSHRMGAT2
SCHEMBL7496112 0.88 BRD4 (0.43) BRD4LMNAKMT2ATSHRMGAT2
SCHEMBL6327520 0.88 KMT2A (0.41) LMNAKMT2ATSHRGAAKDM4E
SCHEMBL6327514 0.88 KMT2A (0.41) LMNAKMT2ATSHRGAAKDM4E
SCHEMBL6401227 0.87 KMT2A (0.46) LMNAKMT2ATSHRGAACA1
SCHEMBL6401224 0.87 KMT2A (0.46) LMNAKMT2ATSHRGAACA1
SCHEMBL7499250 0.85 MGAT2 (0.42) BRD4LMNAKMT2ATSHRMGAT2
SCHEMBL7499247 0.85 MGAT2 (0.42) BRD4LMNAKMT2ATSHRMGAT2

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