SCHEMBL11290341

SCHEMBL11290341

CC(C)C1C/C(=C/c2ccc(N)cc2)C(=O)/C(=C/c2ccc(N)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 4/20 0.47
MAPK1 P28482 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP1A2 P05177 2/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
F2 P00734 6/20 0.40

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
SCHEMBL11290343 1.00 NPC1 (0.47) NPC1MAPTRAB9AMAPK1HSP90AA1
SCHEMBL17899567 0.84 DRD3 (0.50) NPC1MAPTRAB9AMAPK1HSP90AA1
SCHEMBL21028263 0.81 MAPT (0.65) NPC1MAPTRAB9AMAPK1HSP90AA1
SCHEMBL10977635 0.81 MAPT (0.65) NPC1MAPTRAB9AMAPK1HSP90AA1
SCHEMBL10977632 0.81 MAPT (0.65) NPC1MAPTRAB9AMAPK1HSP90AA1
SCHEMBL11282830 0.80 MAPT (0.44) NPC1MAPTRAB9AMAPK1HSP90AA1
SCHEMBL11282829 0.80 MAPT (0.44) NPC1MAPTRAB9AMAPK1HSP90AA1
SCHEMBL18415114 0.77 MAPT (0.57) NPC1MAPTRAB9AMAPK1HSP90AA1
SCHEMBL10977516 0.77 MAPT (0.57) NPC1MAPTRAB9AMAPK1HSP90AA1
SCHEMBL10977512 0.77 MAPT (0.57) NPC1MAPTRAB9AMAPK1HSP90AA1

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
US-4354976-A Process for the preparation of azidobenzal compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-10-19 US disclosed