SCHEMBL7576983

SCHEMBL7576983

O=S(=O)(c1ccccc1)c1cc[c]c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
AKR1B1 P15121 1/20 0.39
ALDH1A1 P00352 8/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 4/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
FEN1 P39748 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AGTR1 P30556 1/20 0.36
PKM P14618 1/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB1 P08183 2/20 0.35

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
SCHEMBL7587452 0.90 MAPT (0.43) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL16369913 0.72 HTR6 (0.59) HTR6AKR1B1ALDH1A1NPSR1MAPT
SCHEMBL16369859 0.70 MEN1 (0.54) HTR6AKR1B1MEN1KMT2A
SCHEMBL628152 0.69 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL1274804 0.67 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL7068509 0.67 HTR6 (0.45) HTR6ALDH1A1MEN1KMT2AMAPK1
SCHEMBL5609096 0.67 HTR6 (0.46) HTR6AKR1B1ALDH1A1MEN1KMT2A
(Phenylsulfonyl)Benzene SCHEMBL2148473 0.66 HTR6 (0.82) HTR6ALDH1A1MAPTTDP1HSD17B10
SCHEMBL19846079 0.66 HSD11B1 (0.48) HTR6AKR1B1MEN1KMT2APIK3CA
SCHEMBL10354233 0.65 HTR6 (0.62) HTR6AKR1B1ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002100864-A1 PYRAZOLOPYRAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-19 WO disclosed