SCHEMBL22316846

SCHEMBL22316846

Clc1cc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c2oc3ccccc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ POLB P06746 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ AHR P35869 3/20 0.38
▸ ALOX5 P09917 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL22136300 0.92 MAPT (0.42) ALDH1A1KMT2AMEN1CYP1A2KDM4E
SCHEMBL22117515 0.92 AHR (0.44) ALDH1A1KMT2AMEN1CYP1A2KDM4E
SCHEMBL22136027 0.88 AHR (0.43) ALDH1A1KMT2AMEN1KDM4EHSD17B10
SCHEMBL25050769 0.86 ALOX5 (0.39) ALDH1A1KMT2AMEN1KDM4EHSD17B10
SCHEMBL23597814 0.86 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CYP1A2KDM4E
SCHEMBL22136025 0.85 ALOX5 (0.42) ALDH1A1KMT2AMEN1KDM4EHSD17B10
SCHEMBL22901286 0.85 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CYP1A2KDM4E
SCHEMBL15501748 0.85 ALOX5 (0.48) ALDH1A1KMT2AMEN1CYP1A2KDM4E
SCHEMBL25762959 0.85 ALOX5 (0.46) CYP1A2AHRALOX5NPC1RAB9A
SCHEMBL23820550 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1CYP1A2KDM4E

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-2020159333-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-08-06 — — WO disclosed
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