SCHEMBL22061689

SCHEMBL22061689

Clc1ccc2oc3c(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cccc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ AHR P35869 3/20 0.43
▸ ADORA3 P0DMS8 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TNKS O95271 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL20754057 0.97 AHR (0.44) ALOX5KMT2AALDH1A1MAPTMEN1
SCHEMBL22061615 0.95 KMT2A (0.43) ALOX5KMT2AALDH1A1MAPTMEN1
SCHEMBL21926816 0.94 AHR (0.48) ALOX5KMT2AALDH1A1MAPTMEN1
SCHEMBL21926211 0.94 AHR (0.48) ALOX5KMT2AALDH1A1MAPTMEN1
SCHEMBL22061607 0.94 AHR (0.49) ALOX5KMT2AALDH1A1MAPTMEN1
SCHEMBL22061220 0.93 KMT2A (0.41) ALOX5KMT2AALDH1A1MAPTMEN1
SCHEMBL22061236 0.93 ALDH1A1 (0.42) ALOX5KMT2AALDH1A1MAPTMEN1
SCHEMBL21191942 0.93 AHR (0.54) ALOX5KMT2AALDH1A1MAPTMEN1
SCHEMBL20290613 0.91 NR1I3 (0.45) ALOX5KMT2AALDH1A1MAPTMEN1
SCHEMBL30034436 0.91 NR1I3 (0.45) ALOX5KMT2AALDH1A1MAPTMEN1

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-2020111663-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 두산솔루스 주식회사 2020-06-04 — — WO disclosed
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