SCHEMBL8937554

SCHEMBL8937554

COc1ccc(C(=O)N2CCN(C(=O)C=C(c3cccc(Cl)c3)c3cccc(Cl)c3)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 2/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.49
MGLL Q99685 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL8937243 0.94 ALDH1A1 (0.58) SMN1; SMN2GAAMAPTATMMEN1
SCHEMBL8937247 0.94 ALDH1A1 (0.58) SMN1; SMN2GAAMAPTATMMEN1
SCHEMBL8937245 0.94 ALDH1A1 (0.58) SMN1; SMN2GAAMAPTATMMEN1
SCHEMBL8937475 0.89 ALDH1A1 (0.62) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL8937455 0.86 L3MBTL1 (0.54) MAPTALDH1A1POLBCYP2C19KDM4E
SCHEMBL8937453 0.86 L3MBTL1 (0.54) MAPTALDH1A1POLBCYP2C19KDM4E
SCHEMBL8937506 0.86 GPR183 (0.55) MAPTMEN1KMT2AALDH1A1MGLL
SCHEMBL8937460 0.86 ALDH1A1 (0.64) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8937471 0.86 ALDH1A1 (0.64) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8937467 0.86 ALDH1A1 (0.64) MAPTMEN1KMT2AALDH1A1POLB

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 5 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
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 EP disclosed