SCHEMBL14433749

SCHEMBL14433749

O=S(=O)(Nc1cccc(Br)c1)c1cccc(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.66
PGR P06401 3/20 0.63
BRD4 O60885 1/20 0.61
MAP4K4 O95819 1/20 0.58
PAK4 O96013 1/20 0.58
PIM1 P11309 1/20 0.58
LTK P29376 1/20 0.58
KDR P35968 1/20 0.58
MAPK14 Q16539 1/20 0.58
LRRK2 Q5S007 1/20 0.58
AURKB Q96GD4 1/20 0.58
ALK Q9UM73 1/20 0.58
PKM P14618 1/20 0.57
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN5 P54829 1/20 0.54
WDR5 P61964 1/20 0.54
HTR6 P50406 1/20 0.53
POLB P06746 1/20 0.53
EDNRB P24530 2/20 0.52

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
SCHEMBL30565215 0.91 PGR (0.75) HSD17B2PGRBRD4MAP4K4PAK4
SCHEMBL5730534 0.91 IL1RN (0.66) HSD17B2PGRBRD4PKMHTR6
SCHEMBL30408871 0.91 IL1RN (0.66) HSD17B2PGRBRD4PKMHTR6
SCHEMBL1403074 0.91 PGR (0.75) HSD17B2PGRBRD4MAP4K4PAK4
SCHEMBL13933287 0.89 HSD17B2 (0.66) HSD17B2PGRBRD4MAP4K4PAK4
SCHEMBL28271807 0.89 HTR6 (0.71) HSD17B2PGRBRD4MAP4K4PAK4
SCHEMBL19065106 0.85 TSHR (0.64) HSD17B2PGRPKMPTPN2PTPN1
SCHEMBL22441723 0.85 CDK1 (0.64) HSD17B2PGRBRD4PKM
SCHEMBL22441816 0.83 HSD17B2 (0.63) HSD17B2PGRBRD4MAP4K4PAK4
SCHEMBL22441735 0.83 PGR (0.72) HSD17B2PGRBRD4KDRPKM

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
WO-2007076055-A9 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED INC (US) 2007-08-30 WO disclosed
WO-2007076055-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2007-07-05 WO disclosed