SCHEMBL28299726

SCHEMBL28299726

CC(C)c1ccc(NC(=O)c2cnccn2)cc1C#N

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.57
NPC1 O15118 10/20 0.57
SMN1; SMN2 Q16637 6/20 0.56
TP53 P04637 3/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
ALOX15 P16050 1/20 0.56
POLB P06746 3/20 0.52
GRM4 Q14833 4/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL28298368 0.86 GRM4 (0.70) RAB9ANPC1SMN1; SMN2TP53GRM4
SCHEMBL28299719 0.81 NPC1 (0.52) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL28299727 0.81 ALDH1A1 (0.69) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL28298329 0.80 NPC1 (0.51) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL28873605 0.80 XDH (0.52) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL28298330 0.78 RAB9A (0.53) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL28298336 0.77 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL28299720 0.76 NPC1 (0.51) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL28298340 0.76 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL28299721 0.76 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53MAPT

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