SCHEMBL29950643

SCHEMBL29950643

O=Cc1nc(F)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.34
CCR1 P32246 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
SCHEMBL17558638 0.79
SCHEMBL23887606 0.79 ERN1 (0.33) ERN1
SCHEMBL840004 0.77 ERN1 (0.32) ERN1
SCHEMBL29792042 0.77 TGFBR1 (0.38) ERN1CCR1
SCHEMBL29736642 0.77 HSD17B10 (0.34) ERN1
SCHEMBL30139595 0.77 ERN1 (0.32) ERN1
SCHEMBL20268024 0.77 HSD17B10 (0.34) ERN1
SCHEMBL29951083 0.77 ALDH1A1 (0.35) CCR1
SCHEMBL29955138 0.77 ERN1 (0.41) ERN1
SCHEMBL17429949 0.77 TGFBR1 (0.38) ERN1CCR1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed