SCHEMBL7580296

SCHEMBL7580296

C(#Cc1cccs1)CN=Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
PIN1 Q13526 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 4/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
GRM5 P41594 1/20 0.33
G6PC1 P35575 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 2/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
CA12 O43570 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
SCHEMBL7580291 1.00 FFAR1 (0.35) FFAR1PIN1LMNAL3MBTL1CA2
SCHEMBL7571250 0.76 CYP1A2 (0.45) LMNAL3MBTL1CA2G6PC1CA1
SCHEMBL7571246 0.76 CYP1A2 (0.45) LMNAL3MBTL1CA2G6PC1CA1
SCHEMBL7573431 0.76 HPGD (0.33) LMNAL3MBTL1CA2NPC1RAB9A
SCHEMBL7582036 0.76 CA2 (0.33) LMNAL3MBTL1CA2CA1TAAR1
SCHEMBL7573127 0.76 CA2 (0.33) LMNAL3MBTL1CA2CA1MAPT
SCHEMBL7573436 0.76 HPGD (0.33) LMNAL3MBTL1CA2NPC1RAB9A
SCHEMBL7575256 0.76 G6PC1 (0.35) LMNAL3MBTL1CA2G6PC1CA1
SCHEMBL7575258 0.76 G6PC1 (0.35) LMNAL3MBTL1CA2G6PC1CA1
SCHEMBL7573124 0.76 CA2 (0.33) LMNAL3MBTL1CA2CA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810199-B1 Method for producing propargylamine compounds SUMITOMO CHEMICAL CO (JP) 2002-09-25 EP disclosed
US-5756769-A Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1998-05-26 US disclosed
EP-0810199-A1 Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-03 EP disclosed