SCHEMBL7808629

SCHEMBL7808629

Cc1cccc2c1C(Br)C(=O)N2Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.37
MGLL Q99685 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 4/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.31
DAO P14920 1/20 0.31
ELANE P08246 1/20 0.31
HTT P42858 1/20 0.31
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALOX5 P09917 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4411210 0.69 AADAT (0.36) AADATMGLLMEN1KMT2AMAPT
SCHEMBL9903242 0.60 OPRM1 (0.44) AADATMGLLMEN1KMT2AMAPT
SCHEMBL10823675 0.59 MGLL (0.56) MGLLL3MBTL1MEN1KMT2AMAPT
SCHEMBL7756746 0.57 TTR (0.52) AADATMGLLMEN1KMT2AALDH1A1
SCHEMBL428507 0.56 LDHA (0.43) AADATKMT2AMAPTALDH1A1NPSR1
SCHEMBL22407642 0.56 AADAT (0.39) AADATL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL62013 0.56
SCHEMBL8164803 0.56 ALDH1A1 (0.53) ALDH1A1ATM
SCHEMBL23709224 0.55 HTR7 (0.55) MGLLL3MBTL1MEN1KMT2AMAPT
SCHEMBL11804681 0.55 KMT2A (0.53) MEN1KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082305-A4 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN INC (US) 2001-09-26 EP disclosed
EP-1082305-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2001-03-14 EP disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO disclosed
WO-1999061422-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 1999-12-02 WO disclosed