SCHEMBL11277912

SCHEMBL11277912

CC(C)C(CC=C(Br)Br)C(=O)OC(C#N)c1cccc(Oc2ccccc2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B14 Q9BPX1 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.30
ADAMTS4 O75173 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 0.93 SCN9A (0.33) ALDH1A1MEN1KMT2A
SCHEMBL11266258 0.92 P2RX3 (0.35)
SCHEMBL11275766 0.90 HSD17B14 (0.31) ALDH1A1HSD17B14MEN1KMT2ASMN1; SMN2
SCHEMBL11270361 0.87 CARM1 (0.32) ALDH1A1KMT2A
SCHEMBL11278020 0.84 P2RX3 (0.33) ALDH1A1TDP1MEN1KMT2A
SCHEMBL11275922 0.83 SCN9A (0.32) MEN1KMT2A
SCHEMBL11278942 0.83 P2RX3 (0.34)
SCHEMBL11283946 0.82 P2RX3 (0.35) MEN1KMT2A
SCHEMBL11267667 0.82 MEN1 (0.33) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL11274780 0.81 ALDH1A1 (0.31) ALDH1A1TDP1ADAMTS4

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