SCHEMBL8366709

SCHEMBL8366709

COC(=O)c1cc(-c2ccc(F)cc2)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 1/20 0.53
AXL P30530 1/20 0.50
KEAP1 Q14145 1/20 0.50
MAP2K4 P45985 1/20 0.48
APP P05067 1/20 0.48
GAK O14976 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FLT3 P36888 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MARK1 Q9P0L2 1/20 0.47
STK17A Q9UEE5 1/20 0.47
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL3450312 0.86 POLB (0.56) RAB9AKMT2AMEN1L3MBTL1MAPK1
SCHEMBL8369776 0.85 NPC1 (0.57) RAB9AKMT2AMEN1L3MBTL1MAPK1
SCHEMBL3448539 0.85 MAPT (0.55) RAB9AKMT2AMEN1L3MBTL1MAPK1
SCHEMBL8368151 0.85 MAPT (0.58) RAB9AKMT2AMEN1L3MBTL1MAPK1
SCHEMBL1221564 0.84 MEN1 (0.61) RAB9AKMT2AMEN1L3MBTL1MAPK1
SCHEMBL3501972 0.84 KMT2A (0.57) RAB9AKMT2AL3MBTL1MAPK1AXL
SCHEMBL8364912 0.84 KMT2A (0.54) RAB9AKMT2AMEN1L3MBTL1MAPK1
SCHEMBL8589802 0.83 KMT2A (0.59) RAB9AKMT2AMEN1L3MBTL1MAPK1
SCHEMBL8364669 0.82 L3MBTL1 (0.52) RAB9AKMT2AMEN1L3MBTL1MAPK1
SCHEMBL70800 0.81 RAB9A (0.55) RAB9AKMT2AMEN1AXLKEAP1

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
CN-104945324-B A kind of sulfenyl class compound and its application with antitumor activity 沈阳药科大学 2017-06-13 CN disclosed
CN-104945324-A Sulfur-based compound with anti-tumor activity and application thereof UNIV SHENYANG PHARMACEUTICAL 2015-09-30 CN disclosed
US-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 US disclosed