SCHEMBL17209199

SCHEMBL17209199

c1ccc2c(c1)cc(-c1ccc3c(c1)Cc1cc(-n4c5ccc(-c6cc7ccccc7c7ccccc67)cc5c5cc(-c6cc7ccccc7c7ccccc67)ccc54)ccc1-3)c1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
NISCH Q9Y2I1 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
ALOX5 P09917 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
SCHEMBL17209239 0.96 CYP11B1 (0.33) CYP11B1
SCHEMBL17209146 0.96 CYP11B1 (0.33) CYP11B1
SCHEMBL17209231 0.95 TDP2 (0.36) CYP11B1EDNRBEDNRAALOX5
SCHEMBL17209260 0.95 TDP2 (0.36) CYP11B1EDNRBEDNRAALOX5
SCHEMBL17209253 0.95 TDP2 (0.36) CYP11B1EDNRBEDNRAALOX5
SCHEMBL17209179 0.95 TDP2 (0.36) CYP11B1EDNRBEDNRAALOX5
SCHEMBL17209299 0.95 NPC1 (0.36) CYP11B1
SCHEMBL17209148 0.94 MCL1 (0.33) CYP11B1
SCHEMBL17209241 0.94 MCL1 (0.33) CYP11B1
SCHEMBL17209160 0.93 TDP2 (0.36) CYP11B1EDNRBEDNRAALOX5

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