SCHEMBL22061615

SCHEMBL22061615

Clc1ccc2oc3c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cccc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ AHR P35869 2/20 0.43
▸ ADORA3 P0DMS8 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TNKS O95271 1/20 0.42
▸ PIM1 P11309 2/20 0.42
▸ CSNK2A2 P19784 2/20 0.42
▸ CSNK2B P67870 2/20 0.42
▸ PIM3 Q86V86 2/20 0.42
▸ PIM2 Q9P1W9 2/20 0.42
▸ MAPK1 P28482 2/20 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) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL22061689 0.95 ALOX5 (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL22061236 0.93 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL21926211 0.92 AHR (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL21926816 0.92 AHR (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL38666711 0.91 ALOX5 (0.42) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL22061220 0.91 KMT2A (0.41) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL24526062 0.90 ALOX5 (0.45) ALDH1A1LMNAMAPTPOLBGAA
SCHEMBL24215857 0.90 ALOX5 (0.45) ALDH1A1LMNAMAPTPOLBGAA
SCHEMBL25019021 0.90 ALOX5 (0.45) KMT2AMEN1ALDH1A1LMNAMAPT

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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