SCHEMBL7848586

SCHEMBL7848586

O=C1c2cccc3cc(S(=O)(=O)O)cc(c23)C(=O)N1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.62
FEN1 P39748 2/20 0.62
ERCC4 Q92889 2/20 0.62
CLTC Q00610 13/20 0.48
MPO P05164 1/20 0.44
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 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
SCHEMBL6761575 0.83 ERCC1 (0.69) ERCC1FEN1ERCC4MAPTCYP1A2
SCHEMBL3827398 0.82 ALDH1A1 (0.55) ERCC1FEN1ERCC4CLTCMAPT
Ammonia Solution, Strong SCHEMBL11319530 0.80 KLK7 (0.45) CLTCTSHRTDP1MEN1KMT2A
SCHEMBL4888025 0.80 ERCC1 (0.96) ERCC1FEN1ERCC4MAPTCYP1A2
SCHEMBL65320 0.79 ERCC1 (0.79) ERCC1FEN1ERCC4MAPTCYP1A2
SCHEMBL4702822 0.78 TYMS (0.58) MEN1KMT2APKMSMN1; SMN2
SCHEMBL31004042 0.78 TYMS (0.58) MEN1KMT2APKMSMN1; SMN2
SCHEMBL29410043 0.78 ERCC1 (1.00) ERCC1FEN1ERCC4MAPTCYP1A2
SCHEMBL132760 0.78 ERCC1 (1.00) ERCC1FEN1ERCC4MAPTCYP1A2
SCHEMBL11434901 0.78 MAPT (0.69) CLTCMAPTPOLBMEN1KMT2A

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
US-6608066-B1 Treating mammal susceptible to, suffering from, suspected of having or recovering from disease impacted by tissue factor, such as cardiovascular, blood coagulation, cell proliferation or immune disorders, atherosclerosis, inflammation or cancer SUNOL MOLECULAR CORPORATION 2003-08-19 US disclosed
US-6608066-B1 Treating mammal susceptible to, suffering from, suspected of having or recovering from disease impacted by tissue factor, such as cardiovascular, blood coagulation, cell proliferation or immune disorders, atherosclerosis, inflammation or cancer SUNOL MOLECULAR CORPORATION 2003-08-19 US disclosed