SCHEMBL9489593

SCHEMBL9489593

O=C1CN(S(=O)(=O)c2ccc(F)cc2)c2ccccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.79
POLB P06746 2/20 0.79
MAPT P10636 1/20 0.79
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
HSD17B10 Q99714 2/20 0.67
TDP1 Q9NUW8 1/20 0.59
SHMT2 P34897 1/20 0.55
MAPK1 P28482 1/20 0.54
MMP2 P08253 1/20 0.53
BRS3 P32247 1/20 0.47
GAA P10253 1/20 0.46
EPHX2 P34913 1/20 0.46
RAB9A P51151 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
SCHEMBL9491573 0.88 ALDH1A1 (1.00) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL27180096 0.86 ALDH1A1 (0.79) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL30926569 0.86 MEN1 (1.00) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL5250030 0.86 MEN1 (1.00) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL30926480 0.86 ALDH1A1 (0.79) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9491786 0.86 ALDH1A1 (0.79) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9491005 0.83 ALDH1A1 (0.73) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL6800614 0.81 MMP2 (0.64) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL13985217 0.80 TDP1 (0.75) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL5474178 0.77 POLB (0.73) ALDH1A1POLBMAPTMEN1KMT2A

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-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