SCHEMBL7499109

SCHEMBL7499109

CCOc1ccc(NC(=C2C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc32)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
BRD4 O60885 2/20 0.51
MGAT2 Q10469 4/20 0.48
MGAT1 P26572 2/20 0.48
MGAT3 Q09327 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7499102 1.00 MAPT (0.52) MAPTKMT2AMEN1BRD4MGAT2
SCHEMBL7493564 0.90 BRD4 (0.62) MAPTKMT2AMEN1BRD4MGAT2
SCHEMBL7493556 0.90 BRD4 (0.62) MAPTKMT2AMEN1BRD4MGAT2
SCHEMBL7496797 0.89 CACNA1B (0.48) MAPTKMT2AMEN1BRD4MGAT2
SCHEMBL7496800 0.89 CACNA1B (0.48) MAPTKMT2AMEN1BRD4MGAT2
SCHEMBL7497322 0.89 MGAT2 (0.55) MAPTKMT2AMEN1BRD4MGAT2
SCHEMBL7488835 0.89 MGAT2 (0.55) MAPTKMT2AMEN1BRD4MGAT2
SCHEMBL7495963 0.88 CACNA1B (0.54) BRD4MGAT2MGAT1MGAT3SMN1; SMN2
SCHEMBL7495974 0.88 CACNA1B (0.54) BRD4MGAT2MGAT1MGAT3SMN1; SMN2
SCHEMBL7493370 0.88 MEN1 (0.52) MAPTKMT2AMEN1BRD4MGAT2

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