SCHEMBL22705692

SCHEMBL22705692

Cn1c2ccccc2c2cccc(-c3cccc4c(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccc7ccccc7c5-6)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
HSP90AA1 P07900 1/20 0.34
IDO1 P14902 1/20 0.34
GPR3 P46089 1/20 0.31
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
CASP1 P29466 1/20 0.30
GALK1 P51570 1/20 0.30
BLM P54132 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SAE1 Q9UBE0 1/20 0.30
UBA2 Q9UBT2 1/20 0.30

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
SCHEMBL22707208 0.92 ALKBH5 (0.36) ALKBH5FTOHSP90AA1IDO1GPR3
SCHEMBL22707778 0.92 ALKBH5 (0.36) ALKBH5FTOHSP90AA1IDO1GPR3
SCHEMBL22705683 0.90 ALKBH5 (0.42) ALKBH5FTOHSP90AA1IDO1GPR3
SCHEMBL22706212 0.88
SCHEMBL22706271 0.88 ALKBH5 (0.35) ALKBH5FTOHSP90AA1IDO1GPR3
SCHEMBL22705700 0.87 NQO2 (0.32) GPR3GAAPKMCASP1GALK1
SCHEMBL22707187 0.86 ALKBH5 (0.37) ALKBH5FTOHSP90AA1IDO1GPR3
SCHEMBL22705691 0.85 RXRA (0.35) GPR3GAAHSD17B10
SCHEMBL22705694 0.85 KDM4E (0.33) GPR3KMT2AHSD17B10
SCHEMBL22707143 0.84 ALKBH5 (0.41) ALKBH5FTOHSP90AA1IDO1GPR3

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