SCHEMBL24856401

SCHEMBL24856401

c1ccc(-c2cccc(-c3c(-c4ccccc4)cccc3N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.35
▸ PLA2G2A P14555 3/20 0.34
▸ PLA2G4A P47712 3/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ PLA2G10 O15496 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ TTR P02766 1/20 0.30
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 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
SCHEMBL24857485 0.98 PLA2G2A (0.37) AHRPLA2G2APLA2G4AMEN1KMT2A
SCHEMBL27017862 0.94 MMP12 (0.36) AHRPLA2G2APLA2G4AMEN1KMT2A
SCHEMBL27017857 0.94 MMP12 (0.36) AHRPLA2G2APLA2G4AMEN1KMT2A
SCHEMBL24856429 0.94 MEN1 (0.36) AHRPLA2G2APLA2G4AMEN1KMT2A
SCHEMBL24856434 0.94 AHR (0.35) AHRPLA2G2APLA2G4AMEN1KMT2A
SCHEMBL24856491 0.94 MEN1 (0.37) AHRPLA2G2APLA2G4AMEN1KMT2A
SCHEMBL27017944 0.93 MMP12 (0.36) AHRPLA2G2APLA2G4AMEN1KMT2A
SCHEMBL27018870 0.93 MMP12 (0.36) AHRPLA2G2APLA2G4AMEN1KMT2A
SCHEMBL27018039 0.93 MMP12 (0.37) AHRPLA2G2APLA2G4AMEN1KMT2A
SCHEMBL24856361 0.93 MEN1 (0.37) AHRPLA2G2APLA2G4AMEN1KMT2A

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-2023273997-A1 ORGANIC COMPOUND AND APPLICATION THEREOF 北京鼎材科技有限公司 2023-01-05 — — WO disclosed
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