SCHEMBL22080437

SCHEMBL22080437

Cc1cc2c(cc1Br)Oc1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ PKM P14618 1/20 0.38
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ AHR P35869 2/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL22080423 1.00 L3MBTL1 (0.41) L3MBTL1GAAMEN1KMT2ANPC1
SCHEMBL22080808 0.97 L3MBTL1 (0.41) L3MBTL1GAAMEN1KMT2ANPC1
SCHEMBL22080783 0.96 L3MBTL1 (0.42) L3MBTL1GAAMEN1KMT2ANPC1
SCHEMBL22043035 0.90 AHR (0.46) L3MBTL1GAAMEN1KMT2ANPC1
SCHEMBL22080470 0.87 AHR (0.46) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL22080415 0.85 AHR (0.47) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL22043034 0.84 AHR (0.43) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL22043031 0.80 MEN1 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL22080731 0.80 MEN1 (0.48) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL31453990 0.79 L3MBTL1 (0.52) L3MBTL1GAAMEN1KMT2ANPC1

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-2020116875-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 두산솔루스 주식회사 2020-06-11 — — WO disclosed
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