SCHEMBL3725869

SCHEMBL3725869

COc1ccc(Oc2cnc(N(C)C(=O)C3(NC(=O)c4ccno4)CCOC3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.33
BDKRB1 P46663 5/20 0.33
MAPK10 P53779 3/20 0.31
TP53 P04637 1/20 0.31
MAPK8 P45983 1/20 0.31
MGAT2 Q10469 2/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3728529 0.92 MEN1 (0.43) MEN1MAPK1KMT2AMAPTBDKRB1
SCHEMBL3721992 0.90 BDKRB1 (0.35) BDKRB1MAPK10TP53MAPK8
SCHEMBL3725868 0.85 MEN1 (0.41) MEN1MAPK1KMT2ABDKRB1MGAT2
SCHEMBL3725887 0.84 MAPK10 (0.31) MAPK10MAPK8
SCHEMBL13165634 0.82 MEN1 (0.44) MEN1MAPK1KMT2AMAPTBDKRB1
SCHEMBL3722079 0.82 CNR1 (0.37) BDKRB1
SCHEMBL13165648 0.79 KMT2A (0.43) MEN1MAPK1KMT2AMAPTBDKRB1
SCHEMBL3728527 0.79 MEN1 (0.42) MEN1MAPK1KMT2AMAPTBDKRB1
SCHEMBL3722367 0.78 BDKRB1 (0.46) MEN1MAPK1KMT2ABDKRB1
SCHEMBL3722724 0.76 MEN1 (0.36) MEN1KMT2ABDKRB1MAPK10TP53

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