SCHEMBL11274889

SCHEMBL11274889

CC(C)C(CC=C(Cl)Cl)C(=O)OC(C#N)c1cc(Oc2ccc(F)cc2)c2ccccc2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
SCN9A Q15858 6/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
DHODH Q02127 1/20 0.32
BRAF P15056 1/20 0.32
MAPK14 Q16539 1/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL11278020 0.81 P2RX3 (0.33) L3MBTL1MEN1KMT2ANPSR1GPR55
SCHEMBL11275322 0.79 ALDH1A1 (0.36) MEN1KMT2ANPSR1HTTTDP1
SCHEMBL11274875 0.77 BRAF (0.35) L3MBTL1MEN1KMT2ANPSR1GPR55
SCHEMBL11271636 0.75 CARM1 (0.32) KMT2AALDH1A1KDM4EHPGD
SCHEMBL11278942 0.75 P2RX3 (0.34)
SCHEMBL11279118 0.73 SCN9A (0.33) L3MBTL1MEN1KMT2ANPSR1GPR55
SCHEMBL11267667 0.72 MEN1 (0.33) MEN1KMT2ASMN1; SMN2TDP1ALDH1A1
SCHEMBL11267662 0.72 PLA2G10 (0.35) L3MBTL1SMN1; SMN2SCN9AALDH1A1TOP2A
SCHEMBL11280442 0.72 MEN1 (0.33) MEN1KMT2ASCN9A
SCHEMBL11272042 0.71 NPC1 (0.38) L3MBTL1MEN1KMT2ASMN1; SMN2RXFP1

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