SCHEMBL4012964

SCHEMBL4012964

C=CCS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PNMT P11086 1/20 0.44
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
PKM P14618 1/20 0.40
HSD11B1 P28845 2/20 0.40
CYP19A1 P11511 1/20 0.40
PAX8 Q06710 1/20 0.39
MMP14 P50281 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 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
Chloromethane SCHEMBL27767488 0.94 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1HPGDHSD17B10
Fluorobenzene SCHEMBL27858881 0.86 HSD11B1 (0.47) KMT2AMEN1ALDH1A1HSD17B10PNMT
SCHEMBL2148798 0.79 GAA (0.55) KMT2AMEN1ALDH1A1PNMTMMP2
SCHEMBL10524502 0.79 CA2 (0.52) KMT2AMEN1ALDH1A1PNMTMMP2
SCHEMBL3626870 0.79 CTSK (0.59) KMT2AMEN1ALDH1A1PNMTCA1
SCHEMBL13183908 0.79 PLCG1 (0.59) KMT2AMEN1ALDH1A1PNMTMMP2
SCHEMBL2548723 0.79 CTSK (0.59) KMT2AMEN1ALDH1A1PNMTCA1
SCHEMBL9820029 0.79 NPC1 (0.48) KMT2AMEN1ALDH1A1PNMTMMP2
SCHEMBL7647205 0.79 KMT2A (0.42) KMT2AMEN1ALDH1A1MMP2MMP9
SCHEMBL10592713 0.79 TDP1 (0.55) KMT2AMEN1ALDH1A1HSD17B10PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200161705-A1 ELECTROLYTE INCLUDING AN ADDITIVE, AND LITHIUM SECONDARY BATTERY INCLUDING THE ELECTROLYTE SAMSUNG SDI CO., LTD. (KR) 2020-05-21 US disclosed
CN-102216265-A Naphthylacetic acid HOFFMANN LA ROCHE 2011-10-12 CN disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed