SCHEMBL1321703

SCHEMBL1321703

CC(COc1ccc(/C=C/c2ccccc2)cc1)[N+](C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 1.00
CYP3A4 P08684 2/20 1.00
TP53 P04637 2/20 1.00
CYP2D6 P10635 2/20 1.00
HSD17B10 Q99714 2/20 1.00
NPC1 O15118 1/20 1.00
CYP2C9 P11712 1/20 1.00
MAPK1 P28482 1/20 1.00
CYP2C19 P33261 1/20 1.00
CHRNA7 P36544 9/20 0.97
KDM4E B2RXH2 3/20 0.97
GMNN O75496 2/20 0.97
LMNA P02545 2/20 0.97
PMP22 Q01453 2/20 0.97
SMN1; SMN2 Q16637 2/20 0.97
HPGD P15428 2/20 0.97
CHRNB2 P17787 2/20 0.97
TDP1 Q9NUW8 1/20 0.97
CHRNA10 Q9GZZ6 5/20 0.59
CHRNA9 Q9UGM1 5/20 0.59

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
Iodide SCHEMBL1320371 0.98 CHRNA7 (1.00) MTORCYP3A4TP53CYP2D6HSD17B10
SCHEMBL21925693 0.84 MTOR (0.73) MTORCYP3A4TP53CYP2D6HSD17B10
SCHEMBL7534905 0.84 MTOR (0.73) MTORCYP3A4TP53CYP2D6HSD17B10
SCHEMBL436231 0.74 RELA (1.00) MTORCYP3A4TP53CYP2D6HSD17B10
SCHEMBL5496245 0.74 RELA (1.00) MTORCYP3A4TP53CYP2D6HSD17B10
SCHEMBL27659104 0.74 NPC1 (0.58) MTORCYP3A4TP53CYP2D6HSD17B10
SCHEMBL17609114 0.73 CHRNA7 (0.63) MTORCYP3A4TP53CYP2D6HSD17B10
SCHEMBL17609112 0.73 CHRNA7 (0.63) MTORCYP3A4TP53CYP2D6HSD17B10
SCHEMBL19132177 0.72 TP53 (0.56) MTORCYP3A4TP53CYP2D6HSD17B10
SCHEMBL5741015 0.72 RELA (0.72) MTORCYP3A4TP53CYP2D6HSD17B10

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-8058243-B2 Method for treating a brain cancer with ifenprodil HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2011-11-15 US disclosed