SCHEMBL1795689

SCHEMBL1795689

Cc1cc(-c2ccnc(Cl)c2)c(C)c(C(=O)Nc2csc(C)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.42
SMARCA2 P51531 3/20 0.41
SMARCA4 P51532 3/20 0.41
GRM5 P41594 7/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 2/20 0.36
RORB Q92753 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
KDM4E B2RXH2 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 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
SCHEMBL1796425 0.84 SMARCA2 (0.57) POLQSMARCA2SMARCA4GRM5MEN1
SCHEMBL1798486 0.83 SMN1; SMN2 (0.47) GRM5MEN1NPC1RAB9AKMT2A
SCHEMBL1792734 0.82 GRM5 (0.48) POLQGRM5KMT2AKDM4E
SCHEMBL1794339 0.82 GRM5 (0.45) POLQGRM5MEN1NPC1RAB9A
SCHEMBL1794079 0.81 GRM5 (0.47) POLQSMARCA2SMARCA4GRM5TLR7
SCHEMBL1793989 0.81 MEN1 (0.46) POLQGRM5MEN1NPC1RAB9A
SCHEMBL1795358 0.81 GRM5 (0.52) POLQGRM5NPC1RAB9AKDM4E
SCHEMBL1795367 0.80 GRM5 (0.36) GRM5
SCHEMBL1794208 0.80 GRM5 (0.42) POLQGRM5MEN1NPC1RAB9A
SCHEMBL4772430 0.78 PARP10 (0.42) POLQSMARCA2SMARCA4MEN1KMT2A

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
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US claimed
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US disclosed