SCHEMBL20008363

SCHEMBL20008363

CN/C=C(\C=C(/C)N1CCCC1)c1cc(NC)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
GFER P55789 2/20 0.31
GAA P10253 1/20 0.31
FKBP1A P62942 1/20 0.30

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
SCHEMBL20009063 0.99 NPC1 (0.39) MAPTNPC1RAB9AHTTL3MBTL1
SCHEMBL20008487 0.87 NPC1 (0.36) MAPTNPC1RAB9AHTTL3MBTL1
SCHEMBL20008164 0.86 MAPT (0.32) MAPTNPC1RAB9AHTTL3MBTL1
SCHEMBL20008254 0.80 NPC1 (0.34) NPC1RAB9AHTTL3MBTL1SMN1; SMN2
SCHEMBL20009507 0.80 MAPT (0.33) MAPTALDH1A1USP2LMNAALOX12
SCHEMBL20009408 0.76 BRAF (0.45) MAPTNPC1RAB9AHTTSMN1; SMN2
SCHEMBL20008383 0.74 MAPT (0.38) MAPTNPC1RAB9AHTTL3MBTL1
SCHEMBL20008308 0.74 NPC1 (0.36) NPC1RAB9AHTTL3MBTL1SMN1; SMN2
SCHEMBL20008169 0.72 PABPC1 (0.34)
SCHEMBL20008233 0.70 RAB9A (0.39) MAPTNPC1RAB9AHTTL3MBTL1

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