SCHEMBL10032622

SCHEMBL10032622

Cc1ccc2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc(-c6ccncc6)cc5)c4)c4ccccc34)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
CYP2A6 P11509 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL10032863 1.00 MAPK14 (0.45) MAPK14MAPTKDM4EMEN1ALDH1A1
SCHEMBL10032676 0.99 MAPK14 (0.44) MAPK14MAPTKDM4EMEN1ALDH1A1
SCHEMBL10032489 0.96 MAPK14 (0.46) MAPK14MAPTKDM4EMEN1ALDH1A1
SCHEMBL10032542 0.96 MAPK14 (0.46) MAPK14MAPTKDM4EMEN1ALDH1A1
SCHEMBL10032179 0.93 MAPK14 (0.52) MAPK14MAPTKDM4EMEN1ALDH1A1
SCHEMBL10032637 0.93 ALDH1A1 (0.43) MAPK14MAPTKDM4EMEN1ALDH1A1
SCHEMBL10032670 0.93 ALDH1A1 (0.43) MAPK14MAPTKDM4EMEN1ALDH1A1
SCHEMBL10032455 0.90 IMPDH2 (0.42) MAPK14MAPTKDM4EMEN1ALDH1A1
SCHEMBL10032240 0.90 IMPDH2 (0.42) MAPK14MAPTKDM4EMEN1ALDH1A1
SCHEMBL10032169 0.90 MAPK14 (0.47) MAPK14MAPTKDM4EMEN1ALDH1A1

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
WO-2012060374-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME JNC株式会社 (JP) 2012-05-10 WO disclosed