SCHEMBL11278020

SCHEMBL11278020

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.33
SCN9A Q15858 8/20 0.32
PPARG P37231 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GPR55 Q9Y2T6 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.30
ALOX5 P09917 2/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL11279118 0.92 SCN9A (0.33) P2RX3SCN9APPARGMEN1KMT2A
SCHEMBL11278942 0.92 P2RX3 (0.34) P2RX3
SCHEMBL11280442 0.91 MEN1 (0.33) P2RX3SCN9APPARGMEN1KMT2A
SCHEMBL11267667 0.91 MEN1 (0.33) P2RX3MEN1KMT2AALDH1A1TDP1
SCHEMBL11266258 0.85 P2RX3 (0.35) P2RX3
SCHEMBL11271636 0.85 CARM1 (0.32) KMT2AALDH1A1HPGD
SCHEMBL11267736 0.84 SCN9A (0.33) P2RX3SCN9APPARGMEN1KMT2A
SCHEMBL11277912 0.84 ALDH1A1 (0.33) MEN1KMT2AALDH1A1TDP1
SCHEMBL11275829 0.83 P2RX3 (0.33) P2RX3SCN9APPARGMEN1KMT2A
SCHEMBL11283820 0.83 SCN9A (0.32) P2RX3SCN9APPARGMEN1KMT2A

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