SCHEMBL4637602

SCHEMBL4637602

O=S(=O)(c1ccccc1)c1c[nH]nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.45
MET P08581 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1B1 P15121 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KIF18A Q8NI77 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.37
FEN1 P39748 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
SCHEMBL7144417 0.79 HTR6 (0.52) HTR6METALDH1A1AKR1B1KMT2A
SCHEMBL4606513 0.79 HTR6 (0.47) HTR6METALDH1A1AKR1B1HTT
SCHEMBL5224094 0.76 NPSR1 (0.45) HTR6METALDH1A1AKR1B1HTT
SCHEMBL9801800 0.74 PPARA (0.43) ALDH1A1KIF18AKMT2AGAANPSR1
SCHEMBL17397967 0.69 HTR6 (0.46) HTR6ALDH1A1HSD17B10TDP1HTT
SCHEMBL7948044 0.69 MET (0.51) HTR6METALDH1A1HSD17B10TDP1
SCHEMBL8080841 0.69 HTR6 (0.72) HTR6ALDH1A1HSD17B10TDP1HTT
SCHEMBL516500 0.69 HSD11B1 (0.67) HTR6ALDH1A1HSD17B10TDP1AKR1B1
SCHEMBL16882344 0.68 HTR6 (0.45) HTR6ALDH1A1HSD17B10TDP1AKR1B1
SCHEMBL23291552 0.68 HTR6 (0.45) HTR6ALDH1A1HSD17B10TDP1HTT

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
EP-1937645-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-07-02 EP disclosed
WO-2007045868-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-04-26 WO disclosed