SCHEMBL4082452

SCHEMBL4082452

OC(CNI)COc1cc(F)c(F)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
SLC22A1 O15245 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL4080566 0.82 ALOX15 (0.41) MAPTKMT2AALOX15ALDH1A1KDM4E
SCHEMBL768676 0.80 ALOX15 (0.43) MAPTKMT2AALOX15SLC1A3SLC1A2
SCHEMBL768677 0.80 ALOX15 (0.43) MAPTKMT2AALOX15SLC1A3SLC1A2
SCHEMBL19607313 0.79 ADRB3 (0.38) MAPTKMT2AALOX15ALDH1A1KDM4E
SCHEMBL4075604 0.71 MEN1 (0.48) KMT2AALOX15ALDH1A1CYP1A2
SCHEMBL4076693 0.69 ALOX15 (0.43) KMT2AALOX15ALDH1A1KDM4EADRB2
SCHEMBL4078535 0.69 ADRB1 (0.46) KMT2AALOX15KDM4EADRB2ADRB1
SCHEMBL5987276 0.67 LMNA (0.30) LMNA
SCHEMBL12634713 0.66 SLC6A4 (0.40) ALDH1A1LMNAHTR2ASLC6A4
SCHEMBL17499050 0.65 KDM4E (0.59) MAPTKMT2AALOX15ALDH1A1KDM4E

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-2066673-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2009-06-10 EP disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed