SCHEMBL9740945

SCHEMBL9740945

O=C(S)Cc1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.55
IDO1 P14902 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
RBP4 P02753 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
EPHX2 P34913 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6864363 0.84 POLQ (0.58) POLQIDO1HDAC1HDAC8MAOB
SCHEMBL187791 0.82 POLQ (0.61) POLQIDO1HDAC1HDAC8MAOB
SCHEMBL29718585 0.82 POLQ (0.61) POLQIDO1HDAC1HDAC8MAOB
SCHEMBL6971669 0.82 POLQ (0.57) POLQIDO1HDAC1HDAC8MAOB
SCHEMBL6714080 0.81 POLQ (0.55) POLQIDO1HDAC1HDAC8MAOB
SCHEMBL1395805 0.81 POLQ (0.55) POLQIDO1HDAC1HDAC8MAOB
Hydrochloric Acid SCHEMBL2529825 0.81 POLQ (0.59) POLQIDO1HDAC1HDAC8MAOB
SCHEMBL265536 0.81 POLQ (0.59) POLQIDO1HDAC1HDAC8MAOB
SCHEMBL31173765 0.81 POLQ (0.59) POLQIDO1HDAC1HDAC8MAOB
SCHEMBL643492 0.81 POLQ (0.55) POLQIDO1HDAC1HDAC8MAOB

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