SCHEMBL22277124

SCHEMBL22277124

c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)sc2ccc3ccccc3c24)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGES O14684 1/20 0.31
GSR P00390 1/20 0.31
HTT P42858 1/20 0.31
TERT O14746 1/20 0.30
PDE10A Q9Y233 2/20 0.30
TSHR P16473 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
SCHEMBL21942113 0.92 KDM4E (0.32) KDM4EALDH1A1HPGD
SCHEMBL16870569 0.89 L3MBTL1 (0.34) HSD17B10KDM4EALDH1A1GAAHPGD
SCHEMBL21941891 0.88 KDM4E (0.32) KDM4EALDH1A1HPGD
SCHEMBL22277010 0.87 ESR1 (0.37) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL16870796 0.87 L3MBTL1 (0.33) HSD17B10KDM4EALDH1A1GAAHPGD
SCHEMBL21942023 0.86 HSD17B10 (0.37) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL22277007 0.85 CYP1A1 (0.36) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL17991013 0.85 ALDH1A1 (0.41) HSD17B10CASP1KDM4EALDH1A1GAA
SCHEMBL21942106 0.84 CYP1A1 (0.31)
SCHEMBL21942071 0.84 CYP1A1 (0.35) HSD17B10CASP1HRH4KDM4EALDH1A1

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-2020153652-A1 COMPOUND, AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME 주식회사 엘지화학 2020-07-30 WO disclosed