SCHEMBL7667178

SCHEMBL7667178

C/C(=N\OCc1ccccc1)c1ccc(C)c(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PPARG P37231 10/20 0.46
PPARA Q07869 9/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
S1PR1 P21453 1/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL7667184 1.00 NPC1 (0.59) NPC1RAB9AL3MBTL1SMN1; SMN2PPARG
SCHEMBL10102036 0.81 NPC1 (0.50) NPC1RAB9AL3MBTL1SMN1; SMN2PPARG
SCHEMBL17257560 0.80 NPC1 (0.89) NPC1RAB9AL3MBTL1SMN1; SMN2PPARG
SCHEMBL17257559 0.80 NPC1 (0.89) NPC1RAB9AL3MBTL1SMN1; SMN2PPARG
SCHEMBL7669499 0.79 NPC1 (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2PPARG
SCHEMBL7669498 0.79 NPC1 (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2PPARG
SCHEMBL7672574 0.79 NPC1 (0.73) NPC1RAB9AL3MBTL1SMN1; SMN2PPARG
SCHEMBL7674107 0.79 NPC1 (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2PPARG
SCHEMBL7672573 0.79 NPC1 (0.73) NPC1RAB9AL3MBTL1SMN1; SMN2PPARG
SCHEMBL10241911 0.79 NPC1 (0.50) NPC1RAB9AL3MBTL1SMN1; SMN2PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489487-B1 AGRICULTURAL OR HORTICULTURAL FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-03 US disclosed
EP-1103548-A1 TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-05-30 EP disclosed