SCHEMBL22061607

SCHEMBL22061607

Clc1ccc2oc3c(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cccc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 8/20 0.49
▸ ALOX5 P09917 2/20 0.47
▸ PIM1 P11309 1/20 0.45
▸ CSNK2A2 P19784 1/20 0.45
▸ CSNK2B P67870 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ IDO1 P14902 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40

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
SCHEMBL22061689 0.94 ALOX5 (0.44) AHRALOX5PIM1CSNK2A2CSNK2B
SCHEMBL20754057 0.91 AHR (0.44) AHRALOX5PIM1CSNK2A2CSNK2B
SCHEMBL22061615 0.88 KMT2A (0.43) AHRALOX5PIM1CSNK2A2CSNK2B
SCHEMBL21926211 0.88 AHR (0.48) AHRALOX5PIM1CSNK2A2CSNK2B
SCHEMBL21926816 0.88 AHR (0.48) AHRALOX5PIM1CSNK2A2CSNK2B
SCHEMBL22061220 0.87 KMT2A (0.41) AHRALOX5PIM1CSNK2A2CSNK2B
SCHEMBL22061622 0.87 MAPK1 (0.47) AHRALOX5PIM1CSNK2A2CSNK2B
SCHEMBL12996554 0.86 ALOX5 (0.54) AHRALOX5PIM1CSNK2A2CSNK2B
SCHEMBL26435899 0.86 ALOX5 (0.47) AHRALOX5KMT2ALMNAIDO1
SCHEMBL23610614 0.86 PIM1 (0.47) AHRALOX5PIM1CSNK2A2CSNK2B

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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