SCHEMBL20008308

SCHEMBL20008308

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 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
SCHEMBL20008363 0.74 MAPT (0.37) NPC1RAB9AHTTL3MBTL1SMN1; SMN2
SCHEMBL20009063 0.73 NPC1 (0.39) NPC1RAB9AHTTL3MBTL1SMN1; SMN2
SCHEMBL20008254 0.71 NPC1 (0.34) NPC1RAB9AHTTL3MBTL1SMN1; SMN2
SCHEMBL20009403 0.71
SCHEMBL20008487 0.70 NPC1 (0.36) NPC1RAB9AHTTL3MBTL1SMN1; SMN2
SCHEMBL20008233 0.69 RAB9A (0.39) NPC1RAB9AHTTL3MBTL1SMN1; SMN2
SCHEMBL20008164 0.68 MAPT (0.32) NPC1RAB9AHTTL3MBTL1SMN1; SMN2
SCHEMBL23019251 0.61 TGM2 (0.33) NPC1RAB9AL3MBTL1KMT2AGAA
SCHEMBL20008186 0.60
SCHEMBL20008531 0.60

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