SCHEMBL6880003

SCHEMBL6880003

[CH2]/C(F)=C\c1ccc(Br)nc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.31
CYP11B1 P15538 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
SCHEMBL6881208 0.79 FDFT1 (0.30) FDFT1
SCHEMBL6881213 0.79 FDFT1 (0.30) FDFT1
SCHEMBL6881217 0.79 FDFT1 (0.30) FDFT1
SCHEMBL17050829 0.77 TBXAS1 (0.33) FDFT1
SCHEMBL2289800 0.76 ABL1 (0.33) FDFT1CYP11B1
SCHEMBL31463690 0.76 ABL1 (0.33) FDFT1CYP11B1
SCHEMBL17050828 0.75 ALDH1A1 (0.33) FDFT1
SCHEMBL17050826 0.74 FDFT1 (0.30) FDFT1
SCHEMBL3210875 0.73
SCHEMBL15065034 0.72 MAPT (0.57)

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 1 patent. 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