SCHEMBL22842029

SCHEMBL22842029

N#Cc1ccccc1-c1ccc(-c2ccc3cccc(-c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)N5)cc4)c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP1A2 P05177 6/20 0.31
▸ CYP3A4 P08684 5/20 0.31
▸ CLK4 Q9HAZ1 3/20 0.31

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
SCHEMBL21160196 0.87 KDM4E (0.33) TRPA1MAPK1KDM4EKMT2AMAPT
SCHEMBL21159732 0.84 KDM4E (0.33) MAPK1KDM4EKMT2AMAPTNPC1
SCHEMBL18819547 0.84 KDM4E (0.34) ABL1TRPA1MAPK1KDM4EKMT2A
SCHEMBL22056443 0.82 ESR2 (0.36) TRPA1MAPK1KDM4EGABRG2GABRB3
SCHEMBL22842238 0.82 TRPA1 (0.34) ABL1TRPA1MAPK1KDM4EKMT2A
SCHEMBL22842026 0.82 TRPA1 (0.34) ABL1TRPA1MAPK1KDM4EKMT2A
SCHEMBL22841896 0.81 NPC1 (0.35) NPC1RAB9A
SCHEMBL25823385 0.81 CA12 (0.38) MAPK1KDM4EMAPTMCL1CYP2C19
SCHEMBL21159672 0.81 ADORA2A (0.35) MAPK1KDM4EKMT2AMAPTNPC1
SCHEMBL21159755 0.81 NPC1 (0.34) TRPA1KMT2AGABRG2GABRB3GABRA5

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-3595025-B1 ORGANIC LIGHT EMITTING ELEMENT LG CHEMICAL LTD (KR) 2020-12-30 — — EP disclosed
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