SCHEMBL20008429

SCHEMBL20008429

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
PDE2A O00408 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL20008272 0.74 TP53 (0.40) TP53NPC1RAB9AMAPTLMNA
SCHEMBL20009427 0.73 CYP3A4 (0.30) CYP2D6MEN1KMT2A
SCHEMBL20008581 0.71 TP53 (0.39) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL20008487 0.64 NPC1 (0.36) TP53NPC1RAB9AMAPTLMNA
SCHEMBL12846473 0.64 HPGD (0.58) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL20009603 0.64 MEN1 (0.36) NPC1RAB9AMAPTLMNACYP2D6
SCHEMBL15306495 0.63 HPGD (0.57) TP53NPC1RAB9AALDH1A1MEN1
SCHEMBL20008164 0.63 MAPT (0.32) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL20008150 0.63 RAB9A (0.41) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL20008573 0.62

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