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SCHEMBL21037263

SCHEMBL21037263

c1ccc(N(c2ccccc2)c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17804783 0.95 KDM4E (0.32) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL17855080 0.95 KDM4E (0.34) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL21037256 0.94 AHR (0.31) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL17804915 0.94 KDM4E (0.33) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL18457542 0.94 AHR (0.35) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL21037283 0.93 AHR (0.32) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL25472846 0.93 KDM4E (0.33) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL17854158 0.92 AHR (0.31) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL25145429 0.92 AHR (0.31) AHRKDM4EMEN1NPC1ALDH1A1
SCHEMBL17854456 0.92 KDM4E (0.33) AHRKDM4EMEN1NPC1ALDH1A1

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-2019103397-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2019-05-31 — — WO disclosed