SCHEMBL23284392

SCHEMBL23284392

C=C(/N=C(Cl)\N=C(/N)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ GRIN2B Q13224 4/20 0.39
▸ GRIN1 Q05586 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ PKM P14618 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BLM P54132 2/20 0.34
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34

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
SCHEMBL25544880 0.86 KMT2A (0.50) NPC1GAARAB9AMEN1KMT2A
SCHEMBL20690860 0.78 LMNA (0.39) NPC1GAARAB9AMEN1KMT2A
SCHEMBL12920098 0.76 BLM (0.39) NPC1GAARAB9AMEN1KMT2A
SCHEMBL22073473 0.75 KDM4E (0.41) NPC1MEN1KMT2AL3MBTL1HPGD
SCHEMBL23862785 0.72 PKM (0.50) NPC1GAARAB9AMEN1KMT2A
SCHEMBL17902020 0.72 CES2 (0.37) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL21557535 0.71 ESR1 (0.34) GAAMEN1KMT2APOLBGRIN2B
SCHEMBL23024885 0.71 KMT2A (0.47) NPC1GAARAB9AMEN1KMT2A
SCHEMBL13241449 0.70 GRIN2B (0.46) NPC1GAARAB9AMEN1KMT2A
SCHEMBL18931241 0.69 GRIN2B (0.49) NPC1RAB9AMEN1KMT2APOLB

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
EP-3415585-B1 ORGANIC LIGHT-EMITTING ELEMENT LG CHEMICAL LTD (KR) 2021-04-28 — — EP disclosed
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