SCHEMBL23812751

SCHEMBL23812751

C=C/C(=C\c1c(C)n(-c2ccccc2)c2ccccc12)c1ccc(B(O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 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
SCHEMBL22408862 0.84 KDM4E (0.42) RORCKDM4EPLA2G2AATML3MBTL1
SCHEMBL25024928 0.79 KDM4E (0.38) RORCKDM4EPLA2G2AATML3MBTL1
SCHEMBL18542855 0.78 RORC (0.38) RORCKDM4EATML3MBTL1HDAC6
SCHEMBL24631962 0.78 RORC (0.34) RORCKDM4EPLA2G2AATML3MBTL1
SCHEMBL24398609 0.77 RORC (0.37) RORCKDM4EPLA2G2AATML3MBTL1
SCHEMBL23654297 0.75 KDM4E (0.43) RORCKDM4EPLA2G2AATML3MBTL1
SCHEMBL25737373 0.75 PTGER4 (0.35) RORCKDM4EATML3MBTL1GAA
SCHEMBL20683182 0.75 RORC (0.32) RORCKDM4EPLA2G2AATML3MBTL1
SCHEMBL21289721 0.74 KDM4E (0.52) RORCKDM4EPLA2G2AATML3MBTL1
SCHEMBL20662933 0.72 MAPT (0.40) RORCKDM4EPLA2G2AATML3MBTL1

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
EP-3330342-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME LT MATERIALS CO LTD (KR) 2021-09-15 — — EP disclosed
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