SCHEMBL29196473

SCHEMBL29196473

OP(=S)(Oc1ccccc1)Oc1ccccc1.S=C(Cl)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.45
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.34
PTK2B Q14289 1/20 0.34
ANPEP P15144 2/20 0.33
LAP3 P28838 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL483025 0.85 SRC (0.58) SRCCYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL19247 0.85 LTA4H (0.41) SRCTDP1L3MBTL1MAPTHSD17B10
SCHEMBL29196468 0.84 SRC (0.54) SRCCYP2C9CYP2C19TDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL11664408 0.83 SRC (0.56) SRCCYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL7270129 0.83 SRC (0.56) SRCCYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL29196429 0.83 SRC (0.48) SRCCYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL2599765 0.78 TDP1 (0.35) SRCTDP1L3MBTL1MAPTHSD17B10
SCHEMBL3066817 0.77 SRC (0.54) SRCCYP2C9CYP2C19TDP1L3MBTL1
P-Xylene SCHEMBL27755989 0.76 MEN1 (0.49) SRCCYP2C9CYP2C19L3MBTL1MAPT
Toluene SCHEMBL27759672 0.76 SRC (0.48) SRCCYP2C9CYP2C19TDP1L3MBTL1

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
CN-117924339-A Hydrogen sulfide donor and preparation method and application thereof 重庆理工大学 2024-04-26 CN disclosed