SCHEMBL22136027

SCHEMBL22136027

Clc1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2oc3ccccc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.43
▸ MAPT P10636 7/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ TSHR P16473 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL22136300 0.93 MAPT (0.42) AHRMAPTALDH1A1LMNAPOLB
SCHEMBL22117515 0.93 AHR (0.44) AHRMAPTALDH1A1LMNAPOLB
SCHEMBL22136025 0.92 ALOX5 (0.42) AHRMAPTALDH1A1LMNAPOLB
SCHEMBL25762962 0.90 AHR (0.49) AHRMAPTHPGDKMT2AMEN1
SCHEMBL29993340 0.90 AHR (0.51) AHRMAPTHPGDKMT2AMEN1
SCHEMBL22884595 0.90 AHR (0.51) AHRMAPTHPGDKMT2AMEN1
SCHEMBL22316846 0.88 ALDH1A1 (0.39) AHRMAPTALDH1A1LMNAPOLB
SCHEMBL22136316 0.87 ALDH1A1 (0.41) AHRMAPTALDH1A1LMNAPOLB
SCHEMBL24171352 0.86 ALOX5 (0.46) AHRALOX5
SCHEMBL24526080 0.86 MAPT (0.44) AHRMAPTALDH1A1LMNAPOLB

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-2020130553-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 두산솔루스 주식회사 2020-06-25 — — WO disclosed
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