SCHEMBL6428096

SCHEMBL6428096

c1ccc(NCn2ccnn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.55
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A1 P04798 1/20 0.41

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
SCHEMBL1854012 0.76 TSHR (0.46) ALDH1A1MAPT
SCHEMBL11565149 0.71 TP53 (0.50) CYP19A1ALDH1A1CYP1A1
SCHEMBL155247 0.71 CYP19A1 (1.00) CYP19A1MAPTCYP1A1
SCHEMBL10604263 0.70 CYP19A1 (0.55) CYP19A1CYP1A1
SCHEMBL10600883 0.70 CYP19A1 (0.55) CYP19A1CYP1A1
Hydrochloric Acid SCHEMBL7263772 0.69 CYP19A1 (0.96) CYP19A1MAPTCYP1A1
SCHEMBL28263864 0.68 CYP19A1 (0.68) CYP19A1CYP1A1
SCHEMBL6760657 0.68 CYP19A1 (0.67) CYP19A1MAPTCYP1A1
SCHEMBL2359099 0.67 CYP19A1 (0.41) CYP19A1ALDH1A1MAPT
SCHEMBL9565898 0.67 CYP11B1 (0.55) CYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532232-A1 ENGINE OILS COMPRISING LEAD CORROSION-INHIBITORS Ciba SC Holding AG (CH) 2005-05-25 EP claimed
WO-2004015043-A1 ENGINE OILS COMPRISING LEAD CORROSION-INHIBITORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-02-19 WO claimed
EP-1385833-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS Amgen Inc. (US) 2004-02-04 EP disclosed
WO-2002083654-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed