SCHEMBL11275922

SCHEMBL11275922

C#CC(OC(=O)C(CC=C(Br)Br)C(C)C)c1cccc(Oc2ccc(F)cc2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.30
P2RX3 P56373 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
SCHEMBL11275766 0.93 HSD17B14 (0.31) MEN1KMT2A
SCHEMBL11280442 0.92 MEN1 (0.33) SCN9AMEN1KMT2APPARGP2RX3
SCHEMBL11283946 0.92 P2RX3 (0.35) MEN1KMT2AP2RX3
SCHEMBL11279118 0.91 SCN9A (0.33) SCN9AMEN1KMT2APPARGP2RX3
SCHEMBL11276202 0.83 P2RX3 (0.34) MEN1KMT2AP2RX3
SCHEMBL11274780 0.83 ALDH1A1 (0.31)
SCHEMBL11277912 0.83 ALDH1A1 (0.33) MEN1KMT2A
SCHEMBL11278020 0.83 P2RX3 (0.33) SCN9AMEN1KMT2APPARGP2RX3
SCHEMBL11273053 0.83 ADAMTS4 (0.32)
SCHEMBL11266258 0.83 P2RX3 (0.35) P2RX3

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-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed