SCHEMBL29640680

SCHEMBL29640680

NC(=O)c1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.78
PARP10 Q53GL7 9/20 0.70
PARP15 Q460N3 4/20 0.70
ALDH1A1 P00352 2/20 0.70
PARP14 Q460N5 2/20 0.70
KMT2A Q03164 1/20 0.70
PARP16 Q8N5Y8 1/20 0.70
PARP11 Q9NR21 1/20 0.70
PARP4 Q9UKK3 1/20 0.70
HTT P42858 1/20 0.70
CA1 P00915 4/20 0.70
CA9 Q16790 4/20 0.70
CA12 O43570 3/20 0.70
CA14 Q9ULX7 2/20 0.70
SOS1 Q07889 3/20 0.61
PARP3 Q9Y6F1 1/20 0.56
CA3 P07451 1/20 0.55
CA6 P23280 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA5A P35218 1/20 0.55

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
SCHEMBL176891 0.88 CA2 (1.00) CA2CA1CA9CA12CA14
SCHEMBL3137816 0.84 PARP10 (1.00) CA2PARP10PARP15ALDH1A1PARP14
SCHEMBL2213483 0.84 ALDH1A1 (1.00) CA2ALDH1A1HTTCA1CA9
SCHEMBL26416903 0.76 PARP10 (1.00) CA2PARP10PARP15ALDH1A1PARP14
SCHEMBL6515525 0.76 SOS1 (1.00) CA2ALDH1A1HTTCA1CA9
SCHEMBL6631245 0.76 PARP10 (1.00) CA2PARP10PARP15ALDH1A1PARP14
SCHEMBL4856565 0.76 ALDH1A1 (0.83) CA2ALDH1A1HTTCA1CA9
SCHEMBL606429 0.76 PARP10 (1.00) CA2PARP10PARP15ALDH1A1PARP14
Terephthalamide SCHEMBL4205368 0.76 PARP10 (1.00) CA2PARP10PARP15ALDH1A1PARP14
SCHEMBL28256295 0.76 CA2 (0.57) CA2PARP10PARP15ALDH1A1PARP14

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
CN-119119189-A Polypeptides having MMP2 inhibitory effect 大正制药株式会社 2024-12-13 CN disclosed
CN-114450294-B Polypeptides having MMP2 inhibitory effect 大正制药株式会社 2024-11-26 CN disclosed
CN-114450294-A Polypeptide with MMP2 inhibitory effect 大正制药株式会社 2022-05-06 CN disclosed