SCHEMBL6378154

SCHEMBL6378154

COc1ccc2c(c1)CC(Cc1ccncc1)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 1.00
METAP1 P53582 2/20 0.61
PDE4D Q08499 5/20 0.59
CYP26A1 O43174 1/20 0.57
CYP24A1 Q07973 1/20 0.57

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
SCHEMBL6378133 0.90 CYP19A1 (0.81) CYP19A1METAP1PDE4D
SCHEMBL6827615 0.88 CYP19A1 (1.00) CYP19A1CYP26A1CYP24A1
SCHEMBL5582351 0.87 CYP19A1 (0.77) CYP19A1METAP1CYP26A1CYP24A1
SCHEMBL5582493 0.85 CYP19A1 (0.73) CYP19A1METAP1CYP26A1CYP24A1
SCHEMBL30462610 0.85 CYP19A1 (0.73) CYP19A1METAP1CYP26A1CYP24A1
SCHEMBL1114939 0.83 PDE4D (0.81) CYP19A1PDE4D
SCHEMBL17313353 0.81 CYP19A1 (0.68) CYP19A1METAP1CYP26A1CYP24A1
SCHEMBL6384704 0.80 CYP19A1 (0.67) CYP19A1PDE4D
SCHEMBL6825978 0.80 CYP19A1 (1.00) CYP19A1PDE4DCYP26A1CYP24A1
Hydrochloric Acid SCHEMBL2338476 0.79 ACHE (0.74) CYP19A1METAP1CYP26A1CYP24A1

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-1531806-A4 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH CORP (US) 2005-09-21 EP disclosed
EP-1531806-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS Wyeth (US) 2005-05-25 EP disclosed
EP-1047674-B1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVES EISAI CO LTD (JP) 2005-03-30 EP disclosed
WO-2004000225-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 WO disclosed