SCHEMBL4082471

SCHEMBL4082471

OC(CNI)COc1cccc(SC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
CYP2D6 P10635 2/20 0.41
CETP P11597 1/20 0.40
CASR P41180 2/20 0.40
MAPK1 P28482 2/20 0.39
ADRB3 P13945 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL767787 0.83 SMN1; SMN2 (0.45) KDM4EADRB2ADRB1CETPMAPK1
SCHEMBL767788 0.83 SMN1; SMN2 (0.45) KDM4EADRB2ADRB1CETPMAPK1
SCHEMBL14528401 0.74 CYP2D6 (0.65) KDM4EADRB2ADRB1CYP2D6ADRB3
SCHEMBL12251503 0.71 TP53 (0.49) KDM4ECYP2D6CETPMAPK1MAPT
SCHEMBL513189 0.71 PTPRZ1 (0.38) KDM4ECETPMAPK1TSHRMAPT
SCHEMBL6049333 0.69 CETP (0.38) CETPMAPK1TSHR
SCHEMBL513190 0.68 PTPRZ1 (0.38) CETPMAPK1TSHRMAPTHTT
SCHEMBL6942017 0.68 KDM4E (0.52) KDM4EADRB2ADRB1CYP2D6MAPK1
SCHEMBL515476 0.66 ACHE (0.45) CETP
SCHEMBL515475 0.66 CETP (0.37) KDM4ECETPMAPK1TSHRMAPT

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