SCHEMBL9486018

SCHEMBL9486018

COCn1nc(-c2cc(C)ccc2-c2ccccc2)n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
CHRM3 P20309 3/20 0.38
PTGS1 P23219 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
ELANE P08246 1/20 0.36
HDAC7 Q8WUI4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7011158 0.87 MEN1 (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9486032 0.79 RAB9A (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL23755005 0.71 PTGS1 (0.53) PTGS1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9485160 0.70 LRRK2 (0.42) PTGDR2SMN1; SMN2ELANEHDAC7ALDH1A1
SCHEMBL7015535 0.68 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL23754873 0.68 PTGS1 (0.58) PTGS1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3005820 0.67 ELANE (0.52) PTGDR2NPC1RAB9AMEN1KMT2A
SCHEMBL9485930 0.66 TDP1 (0.40) PTGDR2CHRM3NPC1RAB9ASMN1; SMN2
SCHEMBL8056200 0.66 ELANE (0.50) PTGDR2NPC1RAB9ASMN1; SMN2MEN1
Hydrogen Sulfide SCHEMBL27603601 0.66 ELANE (0.50) PTGDR2NPC1RAB9AMEN1KMT2A

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-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed