SCHEMBL11213142

SCHEMBL11213142

O=C(COc1ccc(Cn2ccnc2)cc1)Nc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.63
CYP19A1 P11511 7/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
PKM P14618 3/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
PORCN Q9H237 1/20 0.48
TP53 P04637 2/20 0.48
MITF O75030 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47

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
SCHEMBL11207086 0.87 TBXAS1 (0.67) TBXAS1CYP19A1PKMCYP3A4CYP2D6
SCHEMBL27285135 0.81 NPC1 (0.60) TBXAS1CYP19A1NPC1RAB9ACYP3A4
SCHEMBL10947477 0.81 TBXAS1 (0.72) TBXAS1CYP19A1PKM
SCHEMBL11208084 0.79 TBXAS1 (0.62) TBXAS1CYP19A1NPC1RAB9APKM
SCHEMBL11206265 0.78 TBXAS1 (0.61) TBXAS1CYP19A1NPC1RAB9APKM
SCHEMBL10852178 0.78 TBXAS1 (1.00) TBXAS1CYP19A1
SCHEMBL11354168 0.77 TBXAS1 (0.74) TBXAS1CYP19A1
SCHEMBL10945811 0.77 TBXAS1 (0.78) TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL10854369 0.77 TBXAS1 (1.00) TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL7014888 0.76 GAA (0.69) NPC1RAB9APKMTP53MITF

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
EP-0035863-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer Limited (GB) 1983-10-26 EP claimed
US-4350696-A INHIBITORS OF THROMBOXANE SYNTHETASE ENZYME PFIZER INC. (US) 1982-09-21 US claimed
EP-0035863-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer Limited (GB) 1983-10-26 EP disclosed
US-4350696-A INHIBITORS OF THROMBOXANE SYNTHETASE ENZYME PFIZER INC. (US) 1982-09-21 US disclosed
EP-0035863-A1 Imidazole derivatives, process for their preparation and pharmaceutical compositions thereof Pfizer Limited (GB) 1981-09-16 EP disclosed