SCHEMBL6852359

SCHEMBL6852359

[CH2]/C(F)=C\c1cc(-c2ncccn2)cs1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.32

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
SCHEMBL6852495 0.82 CYP19A1 (0.30) CYP19A1
SCHEMBL6852508 0.82 CYP19A1 (0.30) CYP19A1
SCHEMBL6852503 0.82 CYP19A1 (0.30) CYP19A1
SCHEMBL6852714 0.81 RAB9A (0.39) CYP19A1
SCHEMBL6852722 0.81 RAB9A (0.39) CYP19A1
SCHEMBL6852017 0.77 MAPT (0.39)
SCHEMBL6852128 0.75 CYP19A1 (0.32) CYP19A1
SCHEMBL6852061 0.74 PIM2 (0.35) CYP19A1
SCHEMBL6852565 0.74 DYRK1A (0.57)
SCHEMBL6852064 0.74 PIM2 (0.35) 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