SCHEMBL22117515

SCHEMBL22117515

Clc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2oc3ccccc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.44
▸ MAPT P10636 8/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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 0.97 MAPT (0.42) AHRMAPTALDH1A1KMT2APOLB
SCHEMBL22136027 0.93 AHR (0.43) AHRMAPTALDH1A1KMT2APOLB
SCHEMBL25050769 0.92 ALOX5 (0.39) AHRMAPTALDH1A1KMT2APOLB
SCHEMBL22316846 0.92 ALDH1A1 (0.39) AHRMAPTALDH1A1KMT2APOLB
SCHEMBL22136025 0.91 ALOX5 (0.42) AHRMAPTALDH1A1KMT2APOLB
SCHEMBL21342527 0.87 MAPT (0.43) AHRMAPTALDH1A1KMT2APOLB
SCHEMBL23738375 0.86 AHR (0.38) AHRMAPTALDH1A1KMT2APOLB
SCHEMBL19257503 0.86 MEN1 (0.43) AHRMAPTALDH1A1KMT2APOLB
SCHEMBL22884849 0.86 MAPT (0.43) AHRMAPTALDH1A1KMT2APOLB
SCHEMBL17425682 0.86 MAPT (0.43) AHRMAPTALDH1A1KMT2APOLB

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