SCHEMBL7430964

SCHEMBL7430964

O=C(O)Nc1cccc([S])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.52
KCNK3 O14649 3/20 0.48
KCNK9 Q9NPC2 3/20 0.48
MGLL Q99685 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.44
DDX3X O00571 1/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL11858223 0.86 GPR35 (0.67) GPR35KCNK3KCNK9MGLLHSD17B10
SCHEMBL9564631 0.81 ALDH1A1 (0.66) HSD17B10MEN1KMT2AMAPTNPC1
SCHEMBL7564141 0.81 GAA (0.52) GPR35KCNK3KCNK9KMT2AMAPT
SCHEMBL595025 0.78 ALDH1A1 (0.68) GPR35HSD17B10MEN1KMT2AMAPT
SCHEMBL30762995 0.78 HSD17B10 (0.74) KCNK3KCNK9HSD17B10MEN1KMT2A
SCHEMBL692386 0.78 HSD17B10 (0.74) KCNK3KCNK9HSD17B10MEN1KMT2A
SCHEMBL7425658 0.78 GPR35 (0.52) GPR35KCNK3KCNK9MGLLHSD17B10
SCHEMBL23932088 0.77 KMT2A (0.66) KCNK3KCNK9MEN1KMT2ALMNA
SCHEMBL4714652 0.77 HSD17B10 (0.71) HSD17B10MEN1KMT2AMAPTNPC1
SCHEMBL1025424 0.77 DDX3X (0.74) GPR35KCNK3KCNK9MGLLMEN1

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
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed