SCHEMBL9699725

SCHEMBL9699725

CCOC(=O)CN1C(=O)CN(S(=O)(=O)c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
MMP2 P08253 1/20 0.47
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
PPARG P37231 1/20 0.41
LMNA P02545 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL9697221 0.91 KMT2A (0.53) NPSR1MMP2TSHRKMT2AMEN1
SCHEMBL9490990 0.91 NPSR1 (0.53) NPSR1MMP2KMT2AMEN1ALDH1A1
SCHEMBL10458998 0.89 NPSR1 (0.49) NPSR1MMP2TSHRKMT2AMEN1
SCHEMBL10458996 0.88 MMP2 (0.52) NPSR1MMP2TSHRMAPK1KMT2A
SCHEMBL9490432 0.84 MMP2 (0.54) MMP2KMT2AMEN1ALDH1A1PKM
SCHEMBL10461110 0.83 NPSR1 (0.51) NPSR1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL9491040 0.78 MAPT (0.53) NPSR1TSHRKMT2AMEN1ALDH1A1
SCHEMBL9490445 0.78 MMP2 (0.54) MMP2TSHRKMT2AMEN1ALDH1A1
SCHEMBL9490572 0.75 MMP2 (0.55) MMP2TSHRKMT2AMEN1ALDH1A1
SCHEMBL9489398 0.75 MMP2 (0.56) MMP2ALDH1A1PKMMAPTLMNA

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-1992005160-A1 4-ARYLSULFONYL-3,4-DIHYDRO-2(1H)-QUINOXALINONE-1-ALKANOIC ACIDS, ESTERS, AND SALTS SARGES REINHARD (US) 1992-04-02 WO disclosed
US-4940708-A 4-arylsulfonyl-3,4-dihydro-2(1H)-quinoxalinone-1-alkanoic acids, esters, and salts PFIZER INC. (US) 1990-07-10 US disclosed