SCHEMBL8937758

SCHEMBL8937758

COc1cc(C(=O)N2CCN(C(=O)C=C(c3ccccc3)c3ccncc3)CC2)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
CYP1A2 P05177 1/20 0.70
CDK5 Q00535 1/20 0.58
CDK5R1 Q15078 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL8937755 1.00 ALDH1A1 (0.70) ALDH1A1CYP1A2CDK5CDK5R1SMN1; SMN2
SCHEMBL8937717 0.94 ALDH1A1 (0.78) ALDH1A1CYP1A2CDK5CDK5R1SMN1; SMN2
SCHEMBL8937708 0.89 ALDH1A1 (0.70) ALDH1A1CYP1A2CDK5CDK5R1SMN1; SMN2
SCHEMBL8937707 0.89 ALDH1A1 (0.70) ALDH1A1CYP1A2CDK5CDK5R1SMN1; SMN2
SCHEMBL8937424 0.86 ALDH1A1 (0.65) ALDH1A1CYP1A2CDK5CDK5R1SMN1; SMN2
SCHEMBL8937428 0.86 ALDH1A1 (0.65) ALDH1A1CYP1A2CDK5CDK5R1SMN1; SMN2
SCHEMBL8937420 0.86 ALDH1A1 (0.65) ALDH1A1CYP1A2CDK5CDK5R1SMN1; SMN2
SCHEMBL8937399 0.85 ALDH1A1 (0.64) ALDH1A1CYP1A2CDK5CDK5R1SMN1; SMN2
SCHEMBL8937395 0.85 ALDH1A1 (0.64) ALDH1A1CYP1A2CDK5CDK5R1SMN1; SMN2
SCHEMBL8937620 0.84 ALDH1A1 (0.79) ALDH1A1CYP1A2SMN1; SMN2L3MBTL1POLB

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