SCHEMBL8937406

SCHEMBL8937406

COc1ccc(C(=CC(=S)N2CCN(C(=S)c3cc(OC)c(OC)c(OC)c3)CC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
TUBB1 Q9H4B7 2/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48

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
SCHEMBL8937539 0.91 ALDH1A1 (0.73) ALDH1A1L3MBTL1TP53SMN1; SMN2POLB
SCHEMBL8937252 0.89 ALDH1A1 (0.63) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL8937259 0.89 ALDH1A1 (0.57) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL8937620 0.79 ALDH1A1 (0.79) ALDH1A1L3MBTL1NPSR1TP53SMN1; SMN2
SCHEMBL8937485 0.78 L3MBTL1 (0.49) ALDH1A1L3MBTL1MAPTNPSR1TP53
SCHEMBL8937244 0.75 ALDH1A1 (0.72) ALDH1A1L3MBTL1MEN1KMT2ATP53
SCHEMBL8937251 0.75 ALDH1A1 (0.72) ALDH1A1L3MBTL1MEN1KMT2ATP53
SCHEMBL8937249 0.75 ALDH1A1 (0.72) ALDH1A1L3MBTL1MEN1KMT2ATP53
SCHEMBL8937440 0.74 ALDH1A1 (0.69) ALDH1A1L3MBTL1NPSR1TP53SMN1; SMN2
SCHEMBL8937435 0.74 ALDH1A1 (0.69) ALDH1A1L3MBTL1NPSR1TP53SMN1; SMN2

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
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