SCHEMBL8996251

SCHEMBL8996251

O=C(O)c1ccc(CCc2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.58
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
ALDH1A1 P00352 2/20 0.56
APP P05067 1/20 0.56
GAA P10253 1/20 0.56
HCAR3 P49019 1/20 0.56
HCAR2 Q8TDS4 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
PTAFR P25105 1/20 0.50

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
SCHEMBL5353235 0.93 TBXAS1 (0.62) TBXAS1MKNK1MKNK2ALDH1A1APP
SCHEMBL11067952 0.86 TBXAS1 (0.67) TBXAS1MKNK1MKNK2ALDH1A1APP
Hydrochloric Acid SCHEMBL11062270 0.85 TBXAS1 (0.68) TBXAS1MKNK1MKNK2ALDH1A1APP
Hydrochloric Acid SCHEMBL9378196 0.83 TBXAS1 (0.54) TBXAS1NAPRTMEN1NPC1RAB9A
Aminomethylbenzoic Acid SCHEMBL5211981 0.83 MKNK1 (0.54) TBXAS1MKNK1MKNK2ALDH1A1APP
SCHEMBL20236126 0.82 CYP1A2 (0.66) MKNK1MKNK2ALDH1A1APPGAA
SCHEMBL1566393 0.81 CYP3A4 (0.73) ALDH1A1GAAKMT2ASMN1; SMN2CYP1A2
SCHEMBL27708002 0.81 TBXAS1 (0.52) TBXAS1MKNK1MKNK2KMT2ATRPV1
SCHEMBL8700016 0.81 CYP1A2 (0.66) TBXAS1NAPRTCYP1A2CHRNA7
SCHEMBL1926270 0.81 HDAC1 (0.64) ALDH1A1NAPRT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563151-A PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-10-08 US disclosed
EP-0623116-A1 AMINO ACID DERIVATIVES AS PAF-RECEPTOR ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014072-A1 AMINO ACID DERIVATIVES AS PAF-RECEPTOR ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-07-22 WO disclosed