SCHEMBL28298321

SCHEMBL28298321

CC(C)COc1ccc(NC(=O)c2ccccn2)cc1C#N

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.63
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL28299724 0.89 GRM4 (0.60) GRM4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28299719 0.87 NPC1 (0.52) NPC1RAB9ASMN1; SMN2
SCHEMBL28299838 0.86 GRM4 (0.64) GRM4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28873606 0.85 GRM4 (0.60) GRM4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28298369 0.85 GRM4 (0.63) GRM4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28299728 0.84 GRM4 (0.61) GRM4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28298334 0.83 GRM4 (0.64) GRM4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28299731 0.82 MEN1 (0.61)
SCHEMBL28298368 0.81 GRM4 (0.70) GRM4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL16592641 0.78 GRM4 (0.81) GRM4NPC1RAB9ASMN1; SMN2

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
CN-106674098-B N- (3- cyano -4- alkoxyl phenyl) pyridine carboxamides and application thereof 中国医科大学 2019-07-02 CN disclosed