SCHEMBL6378133

SCHEMBL6378133

COc1ccc2c(c1)C(=O)C(Cc1ccncc1)C2

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.81
METAP1 P53582 1/20 0.60
PDE4D Q08499 5/20 0.59
ACHE P22303 1/20 0.55

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
SCHEMBL6378154 0.90 CYP19A1 (1.00) CYP19A1METAP1PDE4D
SCHEMBL6825978 0.88 CYP19A1 (1.00) CYP19A1PDE4D
SCHEMBL30667087 0.87 CYP19A1 (0.62) CYP19A1METAP1ACHE
SCHEMBL7784427 0.87 CYP19A1 (0.62) CYP19A1METAP1ACHE
SCHEMBL1114939 0.83 PDE4D (0.81) CYP19A1PDE4DACHE
SCHEMBL6827615 0.80 CYP19A1 (1.00) CYP19A1
Hydrochloric Acid SCHEMBL2329151 0.79 ACHE (0.74) CYP19A1METAP1ACHE
SCHEMBL3843643 0.79 METAP1 (0.70) CYP19A1METAP1ACHE
SCHEMBL8466308 0.79 CYP19A1 (0.63) CYP19A1PDE4D
SCHEMBL12306070 0.79 CYP19A1 (0.65) CYP19A1PDE4DACHE

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-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-1047674-B1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVES EISAI CO LTD (JP) 2005-03-30 EP disclosed