SCHEMBL5617403

SCHEMBL5617403

Oc1ccccc1-c1cncc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.53
CYP11B1 P15538 7/20 0.53
CYP17A1 P05093 3/20 0.53
CYP3A4 P08684 2/20 0.53
PRKCZ Q05513 1/20 0.51
KDM4E B2RXH2 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
ERN1 O75460 4/20 0.47
KCNA5 P22460 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC22A12 Q96S37 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
IDO1 P14902 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL20873066 0.85 PRKCZ (0.64) CYP11B2CYP11B1CYP17A1CYP3A4PRKCZ
SCHEMBL217637 0.77 CYP1A2 (0.65) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL276819 0.77 KDM4E (0.57) CYP11B2CYP11B1CYP17A1CYP3A4PRKCZ
SCHEMBL30214159 0.77 CYP1A2 (0.65) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10094643 0.77 CYP11B2 (0.54) CYP11B2CYP11B1CYP17A1CYP3A4PRKCZ
Benzene SCHEMBL6709411 0.75 CYP1A2 (0.62) CYP3A4KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL28100473 0.75 CYP1A2 (0.62) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10806364 0.75 PRKCZ (0.69) CYP11B2CYP11B1CYP17A1CYP3A4PRKCZ
SCHEMBL28304041 0.75 KDM4E (0.55) CYP11B2CYP11B1CYP17A1CYP3A4PRKCZ
SCHEMBL13978916 0.75 PRKCZ (0.58) CYP11B2CYP11B1CYP17A1CYP3A4PRKCZ

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
US-8481173-B2 highly efficient phosphorescent organometallic complex and an organic electroluminescent (EL) device using the same. The organometallic complex can be used in the formation of an organic layer of the organic EL device, and can emit red light from phosphorescent material SAMSUNG DISPLAY CO., LTD. (KR) 2013-07-09 US disclosed
US-20070196689-A1 Organometallic complex and organic electroluminescence device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-08-23 US disclosed