SCHEMBL11267667

SCHEMBL11267667

CCOc1ccc(Oc2cccc(C(C#N)OC(=O)C(CC=C(Cl)Cl)C(C)C)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADAMTS4 O75173 1/20 0.32
ACACB O00763 3/20 0.32
P2RX3 P56373 3/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ACACA Q13085 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
SCHEMBL11278942 0.92 P2RX3 (0.34) P2RX3
SCHEMBL11273053 0.91 ADAMTS4 (0.32) ADAMTS4ACACBACACA
SCHEMBL11278020 0.91 P2RX3 (0.33) MEN1KMT2AP2RX3ALDH1A1TDP1
SCHEMBL11280511 0.85 ADAMTS4 (0.34) MEN1GAAKMT2ASMN1; SMN2ADAMTS4
SCHEMBL11279224 0.84 ADAMTS4 (0.33) MEN1GAAKMT2ASMN1; SMN2ADAMTS4
SCHEMBL11270904 0.84 ADAMTS4 (0.33) MEN1GAAKMT2ASMN1; SMN2ADAMTS4
SCHEMBL11266258 0.84 P2RX3 (0.35) P2RX3
SCHEMBL11271636 0.83 CARM1 (0.32) KMT2AALDH1A1KDM4E
SCHEMBL11279118 0.83 SCN9A (0.33) MEN1KMT2AP2RX3ALDH1A1
SCHEMBL11276202 0.83 P2RX3 (0.34) MEN1KMT2AP2RX3

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