SCHEMBL8537952

SCHEMBL8537952

O=C(Cn1ccnc1)c1ccc(Cl)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
ALPG P10696 2/20 0.48
ALPI P09923 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PLAA Q9Y263 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2B6 P20813 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA13 Q8N1Q1 2/20 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
SCHEMBL14069484 0.83 CYP19A1 (0.50) CYP19A1ALPGALPITDP1PLAA
SCHEMBL4554609 0.83 CYP19A1 (0.50) CYP19A1ALPGALPITDP1PLAA
SCHEMBL10247505 0.79 CYP19A1 (0.72) CYP19A1ALPGALPITDP1PLAA
Hydrochloric Acid SCHEMBL412748 0.78 CYP19A1 (0.70) CYP19A1ALPGALPITDP1PLAA
SCHEMBL11022381 0.78 CYP19A1 (0.54) CYP19A1ALPGALPITDP1PLAA
SCHEMBL2454118 0.77 CA12 (0.60) CYP19A1ALPGALPITDP1PLAA
Hydrochloric Acid SCHEMBL9996121 0.75 CA12 (0.59) CYP19A1ALPGALPITDP1PLAA
SCHEMBL10879315 0.75 CA12 (0.62) CYP19A1ALPGALPITDP1PLAA
SCHEMBL15991043 0.75 MAOB (0.41) L3MBTL1
SCHEMBL6799214 0.74 ALPG (0.62) CYP19A1ALPGALPITDP1PLAA

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
EP-0683156-B1 Acylated aminoalkanimidazoles and -triazoles CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
US-5622982-A ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS SANDOZ LTD. (CH) 1997-04-22 US disclosed
EP-0683156-A1 Acylated aminoalkanimidazoles and -triazoles SANDOZ LTD. (CH) 1995-11-22 EP disclosed