SCHEMBL22762445

SCHEMBL22762445

Clc1cccc2c1oc1ccc3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc6ccccc6c5)n4)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.42
▸ PIM1 P11309 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ CYP1A2 P05177 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ TP53 P04637 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TTR P02766 2/20 0.38
▸ CYP1A1 P04798 3/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAPK3 P27361 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL22762484 0.94 AHR (0.47) AHRPIM1CSNK2A2CSNK2BPIM3
SCHEMBL22762275 0.93 AHR (0.42) AHRPIM1CSNK2A2CSNK2BPIM3
SCHEMBL23819565 0.88 AHR (0.41) AHRPIM1CSNK2A2CSNK2BPIM3
SCHEMBL22762298 0.87 PIM1 (0.43) AHRPIM1CSNK2A2CSNK2BPIM3
SCHEMBL23819579 0.86 AHR (0.42) AHRPIM1CSNK2A2CSNK2BPIM3
SCHEMBL22762158 0.86 ALOX5 (0.40) AHRPIM1CSNK2A2CSNK2BPIM3
SCHEMBL22762489 0.86 PIM1 (0.40) AHRPIM1CSNK2A2CSNK2BPIM3
SCHEMBL25050805 0.85 CYP1A2 (0.38) AHRPIM1CSNK2A2CSNK2BPIM3
SCHEMBL23819679 0.84 AHR (0.40) AHRPIM1CSNK2A2CSNK2BPIM3
SCHEMBL23203877 0.84 PIM1 (0.46) AHRPIM1CSNK2A2CSNK2BPIM3

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-2020246835-A9 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-06-03 — — WO disclosed
WO-2020246835-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-12-10 — — WO disclosed
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