SCHEMBL8475012

SCHEMBL8475012

CC1CC(c2cccs2)=NNC1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.60
PBRM1 Q86U86 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F10 P00742 1/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 1/20 0.39
YAP1 P46937 1/20 0.38
TEAD4 Q15561 1/20 0.38
LMNA P02545 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL2580228 0.76 GPR119 (1.00) GPR119F10
SCHEMBL1754736 0.74 GPR119 (0.61) GPR119SMN1; SMN2RAB9AALDH1A1PDE3B
SCHEMBL11090412 0.73 PDE3B (0.63) GPR119SMN1; SMN2RAB9AALDH1A1PDE3B
SCHEMBL16157206 0.73 PBRM1 (1.00) GPR119PBRM1PDE3BPDE3A
SCHEMBL20522794 0.72 AXL (0.53) GPR119PBRM1SMN1; SMN2NPC1RAB9A
SCHEMBL11402071 0.72 GPR119 (0.62) GPR119SMN1; SMN2RAB9AALDH1A1PDE3B
SCHEMBL8478610 0.71 GPR119 (0.56) GPR119PBRM1SMN1; SMN2NPC1RAB9A
SCHEMBL7272078 0.71 PDE3B (0.64) GPR119SMN1; SMN2RAB9AALDH1A1PDE3B
SCHEMBL8483017 0.70 GPR119 (0.44) GPR119ALDH1A1PDE3BPDE3AMAPT
SCHEMBL11402076 0.70 GPR119 (0.53) GPR119SMN1; SMN2RAB9AALDH1A1PDE3B

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
US-5883090-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-16 US disclosed
EP-0796250-A1 PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1997-09-24 EP disclosed
WO-1997013758-A1 PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-04-17 WO disclosed