SCHEMBL4072956

SCHEMBL4072956

COc1ccc(OCC(O)CNI)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
CASR P41180 4/20 0.49
SLC2A1 P11166 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
ADRB2 P07550 3/20 0.45
ADRB3 P13945 2/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL768214 0.82 KMT2A (0.57) CASRSLC2A1KMT2AMEN1CYP2D6
SCHEMBL768215 0.82 KMT2A (0.57) CASRSLC2A1KMT2AMEN1CYP2D6
SCHEMBL27931862 0.75 MRGPRX4 (0.46) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL10890358 0.73 CASR (0.52) CASRSLC2A1KMT2AMEN1CYP2D6
SCHEMBL4073362 0.72 ADRB1 (0.45) KDM4ESLC2A1KMT2AMEN1ADRB2
SCHEMBL4075604 0.72 MEN1 (0.48) CASRSLC2A1KMT2AMEN1NPSR1
SCHEMBL19783047 0.71 MRGPRX4 (0.43) SLC6A2SLC6A4SLC6A3NPSR1MRGPRX4
SCHEMBL11159125 0.71 MRGPRX4 (0.50) KDM4EKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL11594729 0.70 KMT2A (0.65) KDM4EKMT2AMEN1ADRB2NPSR1
SCHEMBL772493 0.70 KMT2A (0.61) KDM4ECASRKMT2AMEN1CYP2D6

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