SCHEMBL13445302

SCHEMBL13445302

IC1=Cc2ccccc2CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP19A1 P11511 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
GPR84 Q9NQS5 1/20 0.39
MAOB P27338 2/20 0.38
PTGS2 P35354 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
ADRA2A P08913 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL13662372 0.78 MAOA (0.42) KDM1ACYP11B1CYP11B2GPR84MAOB
SCHEMBL13750273 0.73 SRD5A1 (0.41) CYP11B1CYP11B2GPR84
SCHEMBL30715538 0.71 CYP11B1 (0.46) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL4623181 0.71 KDM1A (0.50) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL30715509 0.71 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL24386545 0.71 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL5029738 0.71 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL10419760 0.71 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL11025756 0.71 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL227232 0.71 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016068460-A1 ORGANIC OPTOELECTRONIC ELEMENT AND DISPLAY DEVICE 삼성에스디아이 주식회사 2016-05-06 WO disclosed
WO-2016068446-A1 ORGANIC OPTOELECTRONIC DIODE AND DISPLAY DEVICE 삼성에스디아이 주식회사 2016-05-06 WO disclosed
EP-2161319-A2 Benzo(c)phenanthrene derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-03-10 EP disclosed