SCHEMBL7301533

SCHEMBL7301533

O=S(=O)(c1ccccc1)c1ccc(Cl)nn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
HTR6 P50406 2/20 0.48
AKR1B1 P15121 3/20 0.47
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
AGTR1 P30556 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL10354233 0.88 HTR6 (0.62) HTR6AKR1B1ALDH1A1TDP1HSD17B10
SCHEMBL1573955 0.73 TSHR (0.48) HTR6AKR1B1ALDH1A1TDP1HSD17B10
SCHEMBL16528 0.73 GAA (0.39) GAAALDH1A1TDP1HSD17B10KDM4E
SCHEMBL3377180 0.72 PKM (0.59) HTR6AKR1B1ALDH1A1TDP1HSD17B10
SCHEMBL11370935 0.72 HTT (0.49) GAAHTR6AKR1B1ALDH1A1TDP1
SCHEMBL5334272 0.71 CA1 (0.42) GAAALDH1A1KDM4EPKMHTT
SCHEMBL30252450 0.71 GAA (0.38) GAAALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL427846 0.71 GAA (0.38) GAAALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL1156253 0.71 GAA (0.38) GAAALDH1A1KDM4EPKMHTT
SCHEMBL31338952 0.71 HTR6 (0.50) HTR6AKR1B1ALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497258-B1 Use of adenosine antagonists in the prevention and treatment of pancreatitis and ulcer FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-02 EP disclosed
EP-0467248-B1 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 EP disclosed
US-5338743-A Pancreatitis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-16 US disclosed
US-5204346-A Cognition activators; analgesics; antidepressants; vasodilation; cardiovascular and urogential disorders; FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-04-20 US disclosed
EP-0497258-A2 Use of adenosine antagonists in the prevention and treatment of pancreatitis and ulcer FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
EP-0467248-A2 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-22 EP disclosed