SCHEMBL9724101

SCHEMBL9724101

CC(=O)c1ccc(Sc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.48
HSD17B2 P37059 2/20 0.48
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAOB P27338 2/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CES2 O00748 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
USP7 Q93009 1/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL11401274 0.88 HSD17B1 (0.49) HSD17B1HSD17B2MAPTATML3MBTL1
SCHEMBL9724133 0.79 USP7 (0.60) HSD17B1HSD17B2L3MBTL1KDM4ESLC6A2
SCHEMBL7826596 0.78 USP47 (0.52) HSD17B1HSD17B2MAPTL3MBTL1KDM4E
SCHEMBL2682523 0.77 USP47 (0.70) MAPTL3MBTL1ALDH1A1HPGDUSP7
SCHEMBL9724087 0.75 NOTUM (0.40) MAPTKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL216900 0.74 HSD17B1 (0.54) HSD17B1HSD17B2MAPTL3MBTL1KDM4E
SCHEMBL11069105 0.74 HPGD (0.60) ATML3MBTL1KDM4ESLC6A2SLC6A4
SCHEMBL9724102 0.73 ATM (0.46) MAPTATML3MBTL1KDM4ESLC6A2
SCHEMBL9724108 0.73 ALOX5 (0.48) ATML3MBTL1KDM4EGAA
SCHEMBL9724116 0.72 ALDH1A1 (0.40) MAPTATML3MBTL1KDM4ESLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5158971-A Antiallergens, antiinflammatory agents LILLY INDUSTRIES LIMITED (GB) 1992-10-27 US disclosed
EP-0459748-A2 Thien-2-yl methylurea derivatives as leukotriene inhibitors LILLY INDUSTRIES LIMITED (GB) 1991-12-04 EP disclosed