SCHEMBL12112872

SCHEMBL12112872

Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4cc5ccccc5cn4)c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 3/20 0.48
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 1/20 0.39
GRM4 Q14833 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FLT3 P36888 1/20 0.36
CTRC Q99895 1/20 0.36
S1PR1 P21453 1/20 0.36
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL18325325 0.83 NPC1 (0.50) NPC1RAB9ACYP1A2CYP2A6GRM4
SCHEMBL23555440 0.82 NPC1 (0.67) NPC1RAB9ACYP1A2CYP2A6GRM4
SCHEMBL24229511 0.82 NPC1 (0.62) NPC1RAB9ACYP1A2CYP2A6IDO1
SCHEMBL18325314 0.82 NPC1 (0.51) NPC1RAB9ACYP1A2CYP2A6GRM4
SCHEMBL483742 0.81 NPC1 (0.69) NPC1RAB9ACYP1A2CYP2A6GRM4
SCHEMBL128015 0.81 NPC1 (0.54) NPC1RAB9ACYP1A2CYP2A6IDO1
SCHEMBL30179132 0.81 NPC1 (0.69) NPC1RAB9ACYP1A2CYP2A6GRM4
SCHEMBL16484604 0.80 NPC1 (0.47) NPC1RAB9ACYP1A2CYP2A6IDO1
SCHEMBL12112866 0.80 BIRC5 (0.55) NPC1RAB9ACYP1A2CYP2A6KDM4E
SCHEMBL16017903 0.79 DHODH (0.45) NPC1RAB9ACYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053090-B2 Phosphorescent multinuclear copper complex and organic electroluminescent device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-11-08 US disclosed
US-8053090-B2 Phosphorescent multinuclear copper complex and organic electroluminescent device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-11-08 US disclosed
US-20070270592-A1 Phosphorescent multinuclear copper complex and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-11-22 US disclosed
US-20070270592-A1 Phosphorescent multinuclear copper complex and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-11-22 US disclosed