SCHEMBL9489643

SCHEMBL9489643

O=C1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2N1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
POLB P06746 2/20 0.73
ALDH1A1 P00352 3/20 0.60
HSD17B10 Q99714 2/20 0.60
MAPT P10636 1/20 0.60
TDP1 Q9NUW8 1/20 0.57
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.51
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
SHMT2 P34897 1/20 0.46

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
SCHEMBL8789027 0.83 PKM (0.59) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL5250030 0.82 MEN1 (1.00) MEN1KMT2APOLBALDH1A1HSD17B10
SCHEMBL30926569 0.82 MEN1 (1.00) MEN1KMT2APOLBALDH1A1HSD17B10
SCHEMBL13985217 0.81 TDP1 (0.75) MEN1KMT2APOLBALDH1A1HSD17B10
SCHEMBL8789825 0.79 PKM (0.56) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL4897703 0.76 ALDH1A1 (0.66) MEN1KMT2APOLBALDH1A1HSD17B10
SCHEMBL9489390 0.76 HSD17B10 (0.77) MEN1KMT2APOLBALDH1A1HSD17B10
SCHEMBL13985123 0.76 HSD17B10 (0.80) MEN1KMT2APOLBALDH1A1HSD17B10
SCHEMBL9491573 0.76 ALDH1A1 (1.00) MEN1KMT2APOLBALDH1A1HSD17B10
SCHEMBL29562691 0.74 ALDH1A1 (0.63) MEN1KMT2APOLBALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266102-B1 QUINOXALINONE DERIVATIVES PFIZER INC. (US) 1993-03-17 EP 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
EP-0266102-A2 Quinoxalinone derivatives PFIZER INC. (US) 1988-05-04 EP disclosed