SCHEMBL8079708

SCHEMBL8079708

[CH2]Cc1ccc(Br)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.37
KCNH2 Q12809 2/20 0.37
KDM1B Q8NB78 1/20 0.37
KIF11 P52732 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPRB P23467 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FAAH O00519 2/20 0.31

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
SCHEMBL8084327 0.83 KDM1A (0.35) KDM1AKCNH2KDM1BKIF11CYP1A2
SCHEMBL3751790 0.82 KDM4E (0.47) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL16922694 0.81 KDM1A (0.39) KDM1AKCNH2KDM1BKIF11CYP1A2
SCHEMBL12533678 0.79 KDM1A (0.38) KDM1AKCNH2KDM1BKIF11CYP1A2
SCHEMBL377446 0.79 CYP1A2 (0.41) KDM1AKCNH2KDM1BKIF11CYP1A2
SCHEMBL838854 0.78 FAAH (0.37) KDM4EFAAH
SCHEMBL126440 0.78 HTT (0.45) KDM1AALDH1A1
SCHEMBL8070404 0.78 IGF1R (0.35) KDM1AKCNH2KDM1B
SCHEMBL15352097 0.77 KDM1A (0.37) KDM1AKCNH2KDM1BKIF11CYP1A2
SCHEMBL855443 0.77 LOXL2 (0.46) KDM1AKCNH2KDM1BKIF11RCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101058549-A 4-methoxy-1,3-phenyl disubstituted amide derivative UNIV TIANJIN (CN) 2007-10-24 CN claimed
CN-100594211-C 4-methoxyl-1, 3-benzenedisubstituted amide derivs UNIV TIANJIN 2010-03-17 CN disclosed
CN-101641093-A Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORP US 2010-02-03 CN disclosed
CN-101058549-A 4-methoxy-1,3-phenyl disubstituted amide derivative UNIV TIANJIN (CN) 2007-10-24 CN disclosed
EP-0655456-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2000-09-06 EP disclosed
US-5624918-A Phosphonic diester derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-04-29 US disclosed
EP-0655456-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-05-31 EP disclosed