SCHEMBL7774394

SCHEMBL7774394

O=c1cc(S)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
G6PD P11413 1/20 0.39
TLR9 Q9NR96 1/20 0.39
EPHX2 P34913 1/20 0.38
SCN4A P35499 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MIF P14174 1/20 0.38
PARP1 P09874 1/20 0.36
PHOSPHO1 Q8TCT1 3/20 0.35
MPI P34949 2/20 0.35
PMM2 O15305 1/20 0.35
PPARA Q07869 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL9016538 0.77 ALDH1A1 (0.44) MAPTKDM4EG6PDMIFPHOSPHO1
SCHEMBL7777262 0.76 MAPT (0.43) MAPTHSD17B10KDM4EG6PDTLR9
SCHEMBL7774411 0.70 PARP1 (0.36) HSD17B10CA12CA9MIFPARP1
SCHEMBL11560464 0.69 EPHX2 (0.46) HSD17B10KDM4EG6PDTLR9EPHX2
SCHEMBL28124653 0.68 GPR3 (0.54) MAPTG6PDTLR9EPHX2SCN4A
SCHEMBL17341211 0.67 EPHX2 (0.41) MAPTHSD17B10EPHX2SCN4APPARA
SCHEMBL16421246 0.66 G6PD (0.47) MAPTHSD17B10KDM4EG6PDTLR9
SCHEMBL17782899 0.66 MAPT (0.61) MAPTHSD17B10KDM4EG6PDTLR9
SCHEMBL121465 0.65 BCKDK (0.48) HSD17B10KDM4EG6PDTLR9PPARA
SCHEMBL3627055 0.65 CYP2C9 (0.45) HSD17B10KDM4EPPARADYRK1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294527-B1 ANTIBIOTICS FOR METHACILLIN RESISTANT BACTERIA ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2001-09-25 US disclosed
EP-0949262-B1 CEPHEM COMPOUNDS ZENYAKU KOGYO KK (JP) 2001-08-22 EP disclosed
EP-0949262-A1 CEPHEM COMPOUNDS ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-10-13 EP disclosed