SCHEMBL46100

SCHEMBL46100

CON1CCC(N)(N(C)C(=O)Cc2c(C)cc(C)cc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
POLB P06746 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
S1PR5 Q9H228 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
S1PR1 P21453 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
SCHEMBL46114 0.92 MEN1 (0.33) EPHX2ALDH1A1POLBMEN1KMT2A
SCHEMBL46353 0.92 LMNA (0.32) ALDH1A1SIGMAR1
SCHEMBL46375 0.89 NPSR1 (0.31) EPHX2ALDH1A1POLBFFAR4MEN1
SCHEMBL12071750 0.87 KDM4E (0.32) KDM4EALDH1A1MEN1KMT2A
SCHEMBL12071745 0.85 EZH2 (0.32) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL46135 0.85 EPHX2 (0.35) EPHX2KDM4EALDH1A1SIGMAR1POLB
SCHEMBL15032112 0.84 L3MBTL1 (0.35) EPHX2KDM4EALDH1A1SIGMAR1
SCHEMBL46054 0.83 L3MBTL1 (0.30)
SCHEMBL19139584 0.83 KMT2A (0.34) EPHX2KDM4EALDH1A1FFAR4MEN1
SCHEMBL46140 0.83 TSHR (0.32) ALDH1A1SIGMAR1POLBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011151249-A2 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
WO-2010066780-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-17 WO disclosed