SCHEMBL8937855

SCHEMBL8937855

O=C(O)/C=C(/c1ccccc1)c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 4/20 0.55
CYP19A1 P11511 2/20 0.55
CYP11B2 P19099 2/20 0.55
PLOD2 O00469 1/20 0.55
PLOD3 O60568 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
PLOD1 Q02809 1/20 0.55
HIF1A Q16665 1/20 0.55
NAPRT Q6XQN6 1/20 0.50
HTT P42858 1/20 0.47
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
KCNK3 O14649 1/20 0.46

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
SCHEMBL8937507 1.00 KMT2A (0.61) KMT2AMEN1ALDH1A1CYP19A1CYP11B2
SCHEMBL8937512 1.00 KMT2A (0.61) KMT2AMEN1ALDH1A1CYP19A1CYP11B2
SCHEMBL63954 0.87 CES1 (0.50) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL28141157 0.86 BCAT2 (0.43) KMT2AMEN1ALDH1A1CYP19A1CYP11B2
Hydrochloric Acid SCHEMBL4398755 0.85 NFE2L2 (0.48) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL28638888 0.83 KMT2A (0.49) KMT2AMEN1ALDH1A1CYP19A1NAPRT
Hydrochloric Acid SCHEMBL6167657 0.82 TBXAS1 (0.59) ALDH1A1CYP19A1CYP11B2PLOD2TBXAS1
Hydrochloric Acid SCHEMBL6166969 0.82 TBXAS1 (0.59) ALDH1A1CYP19A1CYP11B2PLOD2TBXAS1
Hydrochloric Acid SCHEMBL6166975 0.82 TBXAS1 (0.59) ALDH1A1CYP19A1CYP11B2PLOD2TBXAS1
SCHEMBL16464023 0.82 HCAR2 (0.53) KMT2AMEN1TBXAS1

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