SCHEMBL8094586

SCHEMBL8094586

CCCCCc1cccc(C(=O)Br)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.48
MCL1 Q07820 3/20 0.48
KAT8 Q9H7Z6 3/20 0.48
PPARA Q07869 3/20 0.48
BCL2L1 Q07817 2/20 0.48
BAK1 Q16611 2/20 0.48
PPARG P37231 2/20 0.48
EP300 Q09472 2/20 0.48
KAT5 Q92993 2/20 0.48
SAE1 Q9UBE0 2/20 0.48
KAT2A Q92830 1/20 0.48
KAT2B Q92831 1/20 0.48
LIPG Q9Y5X9 1/20 0.44
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
MMP2 P08253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL8096042 0.98 BID (0.50) BIDMCL1KAT8PPARABCL2L1
SCHEMBL8093994 0.98 BID (0.50) BIDMCL1KAT8PPARABCL2L1
SCHEMBL8085933 0.98 BID (0.50) BIDMCL1KAT8PPARABCL2L1
SCHEMBL8100961 0.95 BID (0.42) BIDMCL1KAT8PPARABCL2L1
SCHEMBL8098354 0.88 HTT (0.38) BIDMCL1BCL2L1BAK1
SCHEMBL9342125 0.85 BID (0.56) BIDMCL1KAT8PPARABCL2L1
SCHEMBL8095267 0.85 LIPG (0.51) BIDMCL1KAT8PPARABCL2L1
SCHEMBL23748714 0.84 BID (0.59) BIDMCL1KAT8PPARABCL2L1
SCHEMBL8087557 0.84 BID (0.48) BIDMCL1KAT8PPARABCL2L1
SCHEMBL29208173 0.84 BID (0.59) BIDMCL1KAT8PPARABCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed