SCHEMBL20008487

SCHEMBL20008487

C=CN/C=C(\C=C(/C)N1CCCCC1)c1cc(NC)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
BTK Q06187 1/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.30
MEN1 O00255 1/20 0.30
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
SCHEMBL20008164 0.97 MAPT (0.32) NPC1RAB9AMAPTHTTL3MBTL1
SCHEMBL20009063 0.89 NPC1 (0.39) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL20008363 0.87 MAPT (0.37) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL20008179 0.83 MAPT (0.31) MAPT
SCHEMBL20008522 0.80 MAPT (0.30) MAPT
SCHEMBL20008383 0.77 MAPT (0.38) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL20008254 0.75 NPC1 (0.34) NPC1RAB9AALDH1A1HTTL3MBTL1
SCHEMBL20008186 0.74
SCHEMBL20008321 0.74 OPRK1 (0.32) MAPTALDH1A1USP2LMNAALOX12
SCHEMBL20009447 0.72 MAPT (0.33) MAPTALDH1A1USP2LMNAALOX12

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