SCHEMBL17209253

SCHEMBL17209253

c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)ccc4n5-c4ccc5c(c4)Cc4cc(-c6cc7ccccc7c7ccccc67)ccc4-5)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.36
CYP11B1 P15538 1/20 0.35
HTR6 P50406 2/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
MPI P34949 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR3C1 P04150 1/20 0.30

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
SCHEMBL17209231 1.00 TDP2 (0.36) TDP2CYP11B1HTR6ALOX5KDM4E
SCHEMBL17209179 1.00 TDP2 (0.36) TDP2CYP11B1HTR6ALOX5KDM4E
SCHEMBL17209260 1.00 TDP2 (0.36) TDP2CYP11B1HTR6ALOX5KDM4E
SCHEMBL17209230 0.98 TDP2 (0.36) TDP2CYP11B1HTR6ALOX5KDM4E
SCHEMBL17209168 0.98 TDP2 (0.36) TDP2CYP11B1HTR6ALOX5KDM4E
SCHEMBL17209247 0.98 TDP2 (0.36) TDP2CYP11B1HTR6ALOX5KDM4E
SCHEMBL17209160 0.98 TDP2 (0.36) TDP2CYP11B1HTR6ALOX5KDM4E
SCHEMBL17209239 0.96 CYP11B1 (0.33) TDP2CYP11B1
SCHEMBL17209146 0.96 CYP11B1 (0.33) TDP2CYP11B1
SCHEMBL17209199 0.95 CYP11B1 (0.35) CYP11B1ALOX5EDNRBEDNRA

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-2015163584-A1 NOVEL COMPOUND AND LIGHT EMITTING ELEMENT COMPRISING SAME 주식회사 엘엠에스 2015-10-29 WO disclosed