SCHEMBL9697221

SCHEMBL9697221

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
MMP2 P08253 1/20 0.49
KCNN4 O15554 1/20 0.48
KCNA3 P22001 1/20 0.48
ALDH1A1 P00352 6/20 0.45
PKM P14618 1/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 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
SCHEMBL9490990 0.93 NPSR1 (0.53) KMT2AMEN1RAB9ANPSR1MMP2
SCHEMBL9699725 0.91 NPSR1 (0.49) KMT2AMEN1RAB9ANPSR1MMP2
SCHEMBL10458998 0.91 NPSR1 (0.49) KMT2AMEN1RAB9ANPSR1MMP2
SCHEMBL10458996 0.90 MMP2 (0.52) KMT2AMEN1RAB9ANPSR1MMP2
SCHEMBL9490445 0.86 MMP2 (0.54) KMT2AMEN1MMP2KCNN4KCNA3
SCHEMBL10461110 0.84 NPSR1 (0.51) KMT2AMEN1RAB9ANPSR1ALDH1A1
SCHEMBL9491040 0.79 MAPT (0.53) KMT2AMEN1RAB9ANPSR1ALDH1A1
SCHEMBL9490572 0.77 MMP2 (0.55) KMT2AMEN1MMP2KCNN4KCNA3
SCHEMBL9489398 0.76 MMP2 (0.56) MMP2ALDH1A1PKMMAPTPOLB
Acetic Acid SCHEMBL10461101 0.75 MMP2 (0.53) KMT2AMEN1MMP2KCNN4KCNA3

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