SCHEMBL23944917

SCHEMBL23944917

COc1cc2ccccc2cc1-c1c(Br)ncc(Cl)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
TLR8 Q9NR97 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 1/20 0.37
HSP90AA1 P07900 4/20 0.36
HSP90AB1 P08238 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 2/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DHPS P49366 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 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
SCHEMBL23946628 0.84 KMT2A (0.43) ADORA1ADORA2AALDH1A1HPGDHSD17B10
SCHEMBL23944528 0.80 TLR8 (0.38) ADORA1ADORA2ATLR8ALDH1A1HPGD
SCHEMBL23944662 0.76 HSP90AA1 (0.44) TLR8ALDH1A1HPGDHSD17B10HSP90AA1
SCHEMBL23944282 0.76 HSP90AA1 (0.44) TLR8ALDH1A1HPGDHSD17B10HSP90AA1
SCHEMBL23943886 0.75 TLR8 (0.41) ADORA1ADORA2ATLR8ALDH1A1HPGD
SCHEMBL23944924 0.75 TLR8 (0.44) ADORA1ADORA2ATLR8ALDH1A1HPGD
SCHEMBL23944921 0.72 TLR8 (0.41) ADORA1ADORA2ATLR8ALDH1A1HPGD
SCHEMBL23944626 0.72 MAOA (0.37) TLR8SMN1; SMN2
SCHEMBL23944609 0.72 MAOA (0.37) TLR8SMN1; SMN2
SCHEMBL23597770 0.69 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10NPC1KDM4E

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-2021210910-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-10-21 WO disclosed