SCHEMBL25847107

SCHEMBL25847107

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(-c3cccc4c3Sc3cccc5cccc-4c35)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.46
MAPK1 P28482 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
ALOX5 P09917 1/20 0.33
CYP3A4 P08684 1/20 0.33
PABPC1 P11940 1/20 0.33
DNMT1 P26358 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL25847001 0.97 TYMS (0.44) TYMSMAPK1ALDH1A1TSHRHSD17B10
SCHEMBL25846996 0.91 TYMS (0.41) TYMSMAPK1ALDH1A1TSHRHSD17B10
SCHEMBL25847110 0.88 TYMS (0.44) TYMSMAPK1ALDH1A1TSHRHSD17B10
SCHEMBL25853920 0.88 TYMS (0.44) TYMSMAPK1ALDH1A1TSHRHSD17B10
SCHEMBL25847309 0.87 ALDH1A1 (0.36) TYMSMAPK1ALDH1A1TSHRHSD17B10
SCHEMBL25846818 0.85 TYMS (0.41) TYMSMAPK1ALDH1A1TSHRHSD17B10
SCHEMBL25846825 0.85 TYMS (0.44) TYMSMAPK1ALDH1A1TSHRHSD17B10
SCHEMBL25846821 0.85 TYMS (0.36) TYMSDNMT1
SCHEMBL25847301 0.84 ALDH1A1 (0.34) TYMSMAPK1ALDH1A1TSHRHSD17B10
SCHEMBL25845263 0.83 TYMS (0.45) TYMSMAPK1ALDH1A1TSHRHSD17B10

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-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed