SCHEMBL3719005

SCHEMBL3719005

COc1ccc(Oc2ccc(N(C)C(=O)C3(NC(=O)c4cnc(Cl)s4)CC3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK8 P45983 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.34
CNR2 P34972 2/20 0.33
SCN9A Q15858 2/20 0.33
ESRRA P11474 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
SLC8A1 P32418 2/20 0.32

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
SCHEMBL3718253 0.87 GAA (0.33) MAPK10MEN1KMT2AMAPK8NPSR1
SCHEMBL3722273 0.85 PPARG (0.35) MAPK10MEN1KMT2AMAPK8GAA
SCHEMBL3729297 0.85 KMT2A (0.35) MAPK10KMT2AMAPK8GAAESRRA
SCHEMBL3719007 0.84 P2RX7 (0.37) MAPK10MEN1KMT2AMAPK8NPSR1
SCHEMBL3722724 0.84 MEN1 (0.36) MAPK10MEN1KMT2AMAPK8GAA
SCHEMBL3722529 0.83 GAA (0.34) MAPK10MEN1KMT2AMAPK8NPSR1
SCHEMBL3722520 0.83 BDKRB1 (0.41) GAAKDM4EMAPT
SCHEMBL3718255 0.83 GAA (0.34) GAAKDM4EMAPT
SCHEMBL3728515 0.83 EPHX2 (0.35) MAPK10GAAKDM4EMAPT
SCHEMBL3795493 0.82 GAA (0.34) MAPK10MAPK8GAA

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