SCHEMBL7774377

SCHEMBL7774377

O=c1cc(S)sc2cc(N3CCCCC3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
ERCC1 P07992 1/20 0.43
DNASE1 P24855 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
ALDH1A1 P00352 7/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 2/20 0.41
ALOX15 P16050 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
S100B P04271 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
IP6K1 Q92551 2/20 0.39
TERT O14746 2/20 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
SCHEMBL7774249 0.86 MAPT (0.46) HSD17B10ALDH1A1MAPTALOX15TDP1
SCHEMBL3881301 0.69 MAPT (0.51) HSD17B10ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL23046402 0.69 MAPT (0.42) HSD17B10ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL7774411 0.66 PARP1 (0.36) HSD17B10ALDH1A1ALOX15
SCHEMBL22740498 0.65 TERT (0.44) HSD17B10ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL22741899 0.65 TERT (0.47) HSD17B10ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL1937493 0.64 HSD17B10 (0.51) HSD17B10ERCC1DNASE1FEN1ERCC4
SCHEMBL10013171 0.63 HSD17B10 (1.00) HSD17B10ERCC1DNASE1FEN1ERCC4
SCHEMBL13701015 0.63 CYP17A1 (0.43) HSD17B10ERCC1DNASE1FEN1ERCC4
SCHEMBL11852420 0.62 HSD17B10 (0.42) HSD17B10ALDH1A1MAPTL3MBTL1MEN1

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