SCHEMBL22061611

SCHEMBL22061611

Clc1ccc2oc3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cccc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ AHR P35869 2/20 0.42
▸ TNKS O95271 1/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ CSNK2A2 P19784 2/20 0.41
▸ CSNK2B P67870 2/20 0.41
▸ PIM3 Q86V86 2/20 0.41
▸ PIM2 Q9P1W9 2/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ CTRC Q99895 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RXFP1 Q9HBX9 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
SCHEMBL22061718 0.91 MAOB (0.44) ADORA3MAPK1AHRTNKSPIM1
SCHEMBL22061235 0.90 MAOB (0.43) ADORA3MAPK1AHRTNKSPIM1
SCHEMBL22061622 0.88 MAPK1 (0.47) ADORA3MAPK1AHRTNKSPIM1
SCHEMBL12996557 0.84 ALOX5 (0.51) ADORA3AHRTNKSPIM1CSNK2A2
SCHEMBL22069957 0.83 ALOX5 (0.45) MAPK1AHRCASP3SMN1; SMN2KMT2A
SCHEMBL22060932 0.83 NPSR1 (0.42) MAPK1PIM1PIM2SMN1; SMN2KMT2A
SCHEMBL21811018 0.83 AHR (0.51) ADORA3AHRTNKSPIM1CSNK2A2
SCHEMBL22061615 0.81 KMT2A (0.43) ADORA3MAPK1AHRTNKSPIM1
SCHEMBL23248740 0.81 AHR (0.45) ADORA3MAPK1AHRTNKSPIM1
SCHEMBL20754057 0.81 AHR (0.44) ADORA3MAPK1AHRTNKSPIM1

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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