SCHEMBL9740947

SCHEMBL9740947

OC(=S)Cc1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.53
IDO1 P14902 2/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ATM Q13315 2/20 0.45
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 1/20 0.40
RBP4 P02753 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL11104249 0.82 POLQ (0.47) POLQIDO1ALDH1A1KDM4EATM
SCHEMBL11104251 0.82 PKM (0.53) POLQIDO1ALDH1A1KDM4EATM
SCHEMBL29718585 0.80 POLQ (0.61) POLQIDO1ALDH1A1KDM4EATM
SCHEMBL187791 0.80 POLQ (0.61) POLQIDO1ALDH1A1KDM4EATM
SCHEMBL2968062 0.79 IDO1 (0.55) POLQIDO1ALDH1A1KDM4EATM
SCHEMBL7011988 0.78 POLQ (0.51) POLQIDO1ALDH1A1KDM4EATM
Hydrochloric Acid SCHEMBL2529825 0.78 POLQ (0.59) POLQIDO1ALDH1A1KDM4EATM
SCHEMBL6864363 0.78 POLQ (0.58) POLQIDO1ALDH1A1KDM4EATM
SCHEMBL3862724 0.77 POLQ (0.58) POLQIDO1ALDH1A1KDM4EATM
Methyl Alcohol SCHEMBL8011354 0.77 POLQ (0.62) POLQIDO1ALDH1A1KDM4EATM

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-5153227-A Treatment of diabetes and galactosemia complications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed