SCHEMBL3718253

SCHEMBL3718253

COc1ccc(Oc2ccc(N(C)C(=O)C3(NC(=O)c4ccns4)CC3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
PROKR1 Q8TCW9 1/20 0.32
BRAF P15056 3/20 0.32
LIMK1 P53667 2/20 0.32
P2RX7 Q99572 1/20 0.32
LIMK2 P53671 1/20 0.32
EPHX2 P34913 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK10 P53779 2/20 0.31
MAPK8 P45983 1/20 0.31
ESRRA P11474 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL3719005 0.87 MAPK10 (0.35) GAAMEN1KMT2ANPSR1MAPK10
SCHEMBL3729297 0.86 KMT2A (0.35) GAAPROKR1EPHX2KMT2AMAPK10
SCHEMBL3722529 0.86 GAA (0.34) GAAEPHX2MEN1KMT2ANPSR1
SCHEMBL3718251 0.84 P2RX7 (0.39) P2RX7EPHX2MEN1KMT2ANPSR1
SCHEMBL3728515 0.83 EPHX2 (0.35) GAAPROKR1EPHX2MAPK10KDM4E
SCHEMBL3722520 0.83 BDKRB1 (0.41) GAABRAFEPHX2KDM4EMAPT
SCHEMBL3718255 0.83 GAA (0.34) GAAPROKR1EPHX2KDM4EMAPT
SCHEMBL3722273 0.83 PPARG (0.35) GAAEPHX2MEN1KMT2AMAPK10
SCHEMBL3722724 0.83 MEN1 (0.36) GAAEPHX2MEN1KMT2AMAPK10
SCHEMBL3795493 0.82 GAA (0.34) GAAPROKR1LIMK1P2RX7LIMK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010097373-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed