SCHEMBL12811441

SCHEMBL12811441

C=C/C=C\C=C(/C)N(c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
MMP3 P08254 1/20 0.31
BCL2L1 Q07817 1/20 0.31
CYP3A4 P08684 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL23972151 0.96 MAPT (0.33) MAPTSMN1; SMN2NPSR1TRPM8ALDH1A1
SCHEMBL10071289 0.94 ALDH1A1 (0.33) MAPTNPSR1TRPM8ALDH1A1HPGD
SCHEMBL18533863 0.92 NPSR1 (0.38) MAPTNPSR1TRPM8ALDH1A1HPGD
SCHEMBL20385022 0.89 TRPM8 (0.42) MAPTNPSR1TRPM8ALDH1A1HPGD
SCHEMBL24923087 0.87 APP (0.45) MAPTMEN1KMT2A
SCHEMBL19867963 0.87 NPSR1 (0.36) MAPTSMN1; SMN2NPSR1TRPM8ALDH1A1
SCHEMBL20169266 0.86 ALDH1A1 (0.38) MAPTSMN1; SMN2NPSR1TRPM8ALDH1A1
SCHEMBL19414747 0.85 TRPM8 (0.39) MAPTNPSR1TRPM8ALDH1A1CYP3A4
SCHEMBL10062047 0.85 HSD17B1 (0.34) MAPTALDH1A1
SCHEMBL22384728 0.85 MKNK1 (0.37)

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
EP-2301926-A1 HALOGEN COMPOUND, POLYCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENCE ELEMENT COMPRISING THE POLYCYCLIC COMPOUND Idemitsu Kosan Co., Ltd. (JP) 2011-03-30 EP disclosed