SCHEMBL29950751

SCHEMBL29950751

O=Cc1nccn1C(F)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL3986195 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15331018 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL23965866 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2556179 0.75 BRD4 (0.31) ALDH1A1
SCHEMBL5655855 0.73 ADORA2A (0.34) ALDH1A1
SCHEMBL9577633 0.71 MEN1 (0.31)
SCHEMBL28079599 0.71 TGFBR1 (0.33) ALDH1A1
SCHEMBL15330841 0.70 L3MBTL1 (0.38)
SCHEMBL29156913 0.69 ALDH1A1 (0.30) ALDH1A1
SCHEMBL17541606 0.69

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