SCHEMBL20008233

SCHEMBL20008233

CNc1ccc(C)c(/C(N)=C/C(=C(N)N)N2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
KLK7 P49862 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL19529299 0.72 SMN1; SMN2 (0.41) RAB9ANPC1L3MBTL1HTTSMN1; SMN2
SCHEMBL20008336 0.72 RAF1 (0.40)
SCHEMBL20009063 0.72 NPC1 (0.39) RAB9ANPC1L3MBTL1HTTSMN1; SMN2
SCHEMBL20008363 0.70 MAPT (0.37) RAB9ANPC1L3MBTL1HTTSMN1; SMN2
SCHEMBL26242740 0.70 HPGD (0.54) RAB9ANPC1HTTSMN1; SMN2GAA
SCHEMBL20008308 0.69 NPC1 (0.36) RAB9ANPC1L3MBTL1HTTSMN1; SMN2
SCHEMBL20008464 0.68 NPC1 (0.30) RAB9ANPC1KMT2A
SCHEMBL20008487 0.68 NPC1 (0.36) RAB9ANPC1L3MBTL1HTTSMN1; SMN2
SCHEMBL20008254 0.68 NPC1 (0.34) RAB9ANPC1L3MBTL1HTTSMN1; SMN2
SCHEMBL20009541 0.65 TP53 (0.32) RAB9ANPC1SMN1; SMN2KMT2ATP53

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed