SCHEMBL21580604

SCHEMBL21580604

C/C(=N/Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.67
CA2 P00918 17/20 0.67
CA9 Q16790 17/20 0.67
CA12 O43570 6/20 0.67
CA4 P22748 11/20 0.66
PTPN7 P35236 1/20 0.55
CA3 P07451 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
MAPT P10636 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL12703929 1.00 CA1 (0.67) CA1CA2CA9CA12CA4
SCHEMBL21580603 1.00 CA1 (0.67) CA1CA2CA9CA12CA4
SCHEMBL15177203 0.84 ALDH1A1 (0.54) CA1CA2CA9CA12MAPT
SCHEMBL14404150 0.80 MEN1 (0.64) CA1CA2CA9CA12MAPT
SCHEMBL12670669 0.78 MAPT (0.67) MAPT
SCHEMBL28801368 0.77 CA1 (0.59) CA1CA2CA9CA12CA4
SCHEMBL31704024 0.76 CA1 (0.51) CA1CA2CA9CA12CA4
SCHEMBL15187708 0.76 RAB9A (0.57) CA1CA2CA9CA4MAPT
SCHEMBL28874997 0.76 MEN1 (0.57) MAPT
SCHEMBL31703719 0.75 CA9 (0.55) CA1CA2CA9CA12CA4

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-3796918-A1 PROMOTION OF EPITHELIAL REPAIR VIA THE ADMINISTRATION OF ACTIVATORS OF PI3K/AKT SIGNALLING Telethon Kids Institute (AU) 2021-03-31 EP claimed
WO-2019222801-A1 PROMOTION OF EPITHELIAL REPAIR VIA THE ADMINISTRATION OF ACTIVATORS OF PI3K/AKT SIGNALLING TELETHON KIDS INSTITUTE (AU) 2019-11-28 WO claimed