SCHEMBL29045347

SCHEMBL29045347

Nc1ncc(S(=O)(=O)O)cc1Br.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
CA3 P07451 1/20 0.39
ALDH1A1 P00352 8/20 0.36
TSHR P16473 2/20 0.36
NT5E P21589 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL31275351 0.98 HTT (0.50) HTTKMT2AKDM4ECA1CA2
SCHEMBL1370997 0.98 HTT (0.50) HTTKMT2AKDM4ECA1CA2
Bromide SCHEMBL7392827 0.96 HTT (0.48) HTTKMT2AKDM4ECA1CA2
SCHEMBL29267304 0.79 HTT (0.50) HTTKMT2AKDM4ECA1CA2
SCHEMBL28645824 0.78 HTT (0.48) HTTKMT2AKDM4ECA1CA2
SCHEMBL10571476 0.77 ALDH1A1 (0.50) KDM4ECA1CA2CA9ALDH1A1
SCHEMBL7392823 0.76 HTT (0.47) HTTKMT2AKDM4ECA1CA2
SCHEMBL2650456 0.76 ALDH1A1 (0.59) HTTKMT2AALDH1A1GAAMAPT
SCHEMBL5623766 0.76 NOS3 (0.50) KMT2AKDM4EALDH1A1TSHRNT5E
SCHEMBL27903839 0.76 KDM4E (0.48) KDM4ECA1CA2CA9ALDH1A1

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-118695780-A Composition and method for producing the same 阿斯制药株式会社 2024-09-24 CN disclosed
CN-117281115-A Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent 株式会社ACENET 2023-12-26 CN disclosed
CN-116322332-A Antipathogenic agent, antibacterial agent, antiviral agent, pathogen treatment device, method for producing antipathogenic agent, antibacterial method, virus inactivation method, and pathogen treatment method 株式会社ACENET 2023-06-23 CN disclosed