SCHEMBL6852495

SCHEMBL6852495

OC/C(F)=C/c1cc(-c2ncccn2)cs1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.30

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
SCHEMBL6852508 1.00 CYP19A1 (0.30) CYP19A1
SCHEMBL6852503 1.00 CYP19A1 (0.30) CYP19A1
SCHEMBL6853977 0.82 RAB9A (0.36) CYP19A1
SCHEMBL6853988 0.82 RAB9A (0.36) CYP19A1
SCHEMBL6853982 0.82 RAB9A (0.36) CYP19A1
SCHEMBL6852359 0.82 CYP19A1 (0.32) CYP19A1
SCHEMBL6852349 0.82 CYP19A1 (0.32) CYP19A1
SCHEMBL6850524 0.79 QDPR (0.37) CYP19A1
SCHEMBL6850522 0.79 QDPR (0.37) CYP19A1
SCHEMBL6850514 0.79 QDPR (0.37) CYP19A1

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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed