SCHEMBL29956889

SCHEMBL29956889

[C-]#[N+]Cc1c(F)ccc(Cl)c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.30
CYP2A13 Q16696 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
SCHEMBL12692619 0.74 KMT2A (0.33) MPO
SCHEMBL14176970 0.72 MPO (0.37) MPOTAAR1GAAPKMCYP2A13
SCHEMBL616685 0.72 TAAR1 (0.41) MPOTAAR1GAAPKMCYP2A13
SCHEMBL14781503 0.72 MPO (0.37) MPOTAAR1GAAPKMCYP2A13
SCHEMBL1196554 0.72 TAAR1 (0.45) MPOTAAR1GAAPKMCYP2A13
SCHEMBL10290476 0.72 MPO (0.40) MPOTAAR1GAAPKMCYP2A13
SCHEMBL147421 0.72 MPO (0.37) MPOTAAR1GAAPKMCYP2A13
SCHEMBL488065 0.72 MPO (0.37) MPOTAAR1GAAPKMCYP2A13
Bromide SCHEMBL25372475 0.71 MPO (0.36) MPOTAAR1GAAPKMCYP2A13
SCHEMBL21355814 0.69 TAAR1 (0.38) MPOTAAR1GAAPKMCYP2A13

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