SCHEMBL28432289

SCHEMBL28432289

COc1ccc(CCC(c2ccccc2)S(N)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ POLB P06746 2/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ HTT P42858 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MMP2 P08253 2/20 0.45
▸ MMP3 P08254 2/20 0.45
▸ PDE4A P27815 2/20 0.45
▸ PDE4B Q07343 2/20 0.45
▸ PDE4C Q08493 2/20 0.45
▸ PDE4D Q08499 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL28432814 0.85 MMP13 (0.51) MMP13ALDH1A1POLBHTTKMT2A
SCHEMBL24371959 0.78 KMT2A (0.59) ALDH1A1HTTKMT2AKDM4EGAA
SCHEMBL18507163 0.77 CA1 (0.55) ALDH1A1POLBCA12CA1CA2
SCHEMBL1162783 0.77 CYP1A2 (0.57) ALDH1A1HTTKMT2AKDM4EGAA
SCHEMBL18063385 0.77 ALDH1A1 (0.53) MMP13ALDH1A1POLBCA12CA1
SCHEMBL22230833 0.75 CA1 (0.53) MMP13ALDH1A1POLBCA12CA1
SCHEMBL22230835 0.75 CA1 (0.53) MMP13ALDH1A1POLBCA12CA1
SCHEMBL14839516 0.74 TDP1 (0.60) ALDH1A1HTTKMT2AKDM4EGAA
SCHEMBL30811394 0.74 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL3472313 0.73 AOC3 (0.43) MMP13CA12CA1CA2CA5A

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
CN-111132974-B Sulfonamide carboxamide compounds 英夫拉索姆有限公司 2023-11-21 — — CN disclosed
CN-111132974-A Novel sulfonamide carboxamide compounds 英夫拉索姆有限公司 2020-05-08 — — CN disclosed
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