SCHEMBL3978822

SCHEMBL3978822

Cn1cc(C(=O)c2ccnc(Cl)c2)c2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 0.42
RORC P51449 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
NTRK1 P04629 8/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
GRM5 P41594 1/20 0.35

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
SCHEMBL3974232 0.84 POLB (0.62) CA12CA9POLB
SCHEMBL3978572 0.83 PCSK9 (0.40) POLBRORCPCSK9NTRK1IDO1
SCHEMBL18067567 0.78 POLB (0.68) POLBRORCPCSK9IDO1TDO2
SCHEMBL10633329 0.75 CES2 (0.47) POLBKDM4C
SCHEMBL3973248 0.74 KDM4E (0.42) CA12CA9POLBRORCPCSK9
SCHEMBL30568943 0.73 IDO1 (0.49) POLBRORCPCSK9IDO1TDO2
SCHEMBL2439483 0.73 IDO1 (0.49) POLBRORCPCSK9IDO1TDO2
SCHEMBL30568894 0.72 NR4A2 (0.53) POLBIDO1TDO2CNR2
SCHEMBL7506054 0.72 IDO1 (0.46) POLBPCSK9IDO1TDO2CNR2
SCHEMBL30568918 0.72 IDO1 (0.54) POLBPCSK9IDO1TDO2CNR2

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
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed