SCHEMBL22706704

SCHEMBL22706704

Cn1c2ccccc2c2cccc(-c3cccc4c(-c5ccc6c(-c7ccccc7)cccc6c5)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.40
FTO Q9C0B1 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HSP90AA1 P07900 1/20 0.39
IDO1 P14902 1/20 0.39
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
CASP1 P29466 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
CASP7 P55210 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
MAPK14 Q16539 1/20 0.35
NTSR1 P30989 1/20 0.34
GPR3 P46089 1/20 0.34
HPGD P15428 2/20 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
SCHEMBL22706988 0.92 HSD17B10 (0.43) ALKBH5FTOHSD17B10HSP90AA1IDO1
SCHEMBL22706702 0.88 HSD17B10 (0.41) HSD17B10KMT2AGAAPKMCASP1
SCHEMBL22706708 0.88 RXRA (0.43) HSD17B10KMT2AGAAPKMCASP1
SCHEMBL22706636 0.88 ALKBH5 (0.41) ALKBH5FTOHSD17B10HSP90AA1IDO1
SCHEMBL22706286 0.87 ALKBH5 (0.40) ALKBH5FTOHSD17B10HSP90AA1IDO1
SCHEMBL22706671 0.86 ALKBH5 (0.46) ALKBH5FTOHSD17B10HSP90AA1IDO1
SCHEMBL22707069 0.86 ALKBH5 (0.46) ALKBH5FTOHSD17B10HSP90AA1IDO1
SCHEMBL22706778 0.86 ALKBH5 (0.49) ALKBH5FTOHSD17B10HSP90AA1IDO1
SCHEMBL22706965 0.86 HSD17B10 (0.39) HSD17B10KMT2AGAAPKMCASP1
SCHEMBL22706682 0.85 ALKBH5 (0.45) ALKBH5FTOHSD17B10HSP90AA1IDO1

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
US-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed