SCHEMBL8937485

SCHEMBL8937485

COc1ccc(C(=CC(=S)N2CCNCC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ADRB1 P08588 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
KDM4E B2RXH2 1/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL8937490 0.84 GPR183 (0.52) SMN1; SMN2HPGDALDH1A1ADRB1HTR3E
SCHEMBL8937406 0.78 ALDH1A1 (0.57) L3MBTL1TP53SMN1; SMN2HPGDALDH1A1
SCHEMBL8937304 0.76 GPR183 (0.44) HPGDALDH1A1MAPTADRB1HTR3E
SCHEMBL8937307 0.76 GPR183 (0.44) HPGDALDH1A1MAPTADRB1HTR3E
SCHEMBL8937312 0.76 GPR183 (0.44) HPGDALDH1A1MAPTADRB1HTR3E
SCHEMBL208986 0.74 HPGD (0.73) L3MBTL1HPGDALDH1A1SIGMAR1POLB
SCHEMBL18763127 0.74 ADRB1 (0.53) L3MBTL1TP53SMN1; SMN2HPGDALDH1A1
SCHEMBL8937539 0.74 ALDH1A1 (0.73) L3MBTL1TP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL31337869 0.73 GPR183 (0.56) HPGDALDH1A1MAPTGPR183
SCHEMBL27315291 0.73 GPR183 (0.56) HPGDALDH1A1MAPTGPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0395446-B1 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists SANKYO CO (JP) 1995-03-01 EP disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 EP disclosed