SCHEMBL1667065

SCHEMBL1667065

Cc1cccc(C)c1C1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
GPR3 P46089 2/20 0.41
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MYC P01106 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
PBRM1 Q86U86 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HTR2B P41595 2/20 0.37
HTR7 P34969 1/20 0.37
HTR2C P28335 4/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL17150269 0.90 GPR3 (0.42) HTR2AGPR3TSHRACHEALDH1A1
SCHEMBL8984572 0.84 GPR3 (0.41) HTR2AGPR3TSHRMYCGAA
SCHEMBL8414162 0.83 GPR3 (0.39) HTR2AGPR3ALDH1A1MEN1KMT2A
SCHEMBL28773419 0.82 HTR2B (0.39) HTR2AGPR3ALDH1A1MYCMEN1
SCHEMBL8416742 0.81 GPR3 (0.50) HTR2AGPR3TSHRACHEGAA
SCHEMBL29945705 0.81 GPR3 (0.50) HTR2AGPR3TSHRACHEGAA
SCHEMBL9348456 0.81 HTR2C (0.39) HTR2AGPR3MYCPBRM1TNKS2
SCHEMBL29490167 0.80 HTR2A (0.48) HTR2AGPR3ACHEALDH1A1MEN1
SCHEMBL1304934 0.80 HTR2A (0.48) HTR2AGPR3ACHEALDH1A1MEN1
SCHEMBL29875704 0.80 HTR2C (0.44) HTR2AGPR3TSHRACHEMYC

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-2011040631-A1 DIINDENOPICENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-04-07 WO disclosed