SCHEMBL29009447

SCHEMBL29009447

O=S(=O)(N=S(c1ccccc1)c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ F2 P00734 2/20 0.44
▸ PRSS1 P07477 2/20 0.44
▸ PRSS2 P07478 2/20 0.44
▸ PRSS3 P35030 2/20 0.44
▸ CA2 P00918 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ PLCG1 P19174 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL9633894 0.82 KMT2A (0.73) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29009451 0.78 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29009424 0.75 CA1 (0.47) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL30434773 0.74 KMT2A (0.61) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL30435139 0.72 MEN1 (0.58) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL24192388 0.68 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL17207837 0.68 F2 (0.44) MEN1KMT2AALDH1A1MAPTF2
SCHEMBL10530488 0.68 F2 (0.63) F2PRSS1PRSS2PRSS3CA2
SCHEMBL17787430 0.68 F2 (0.57) ALDH1A1MAPTTDP1F2PRSS1
SCHEMBL16487 0.68 HTR6 (0.70) MEN1KMT2AALDH1A1MAPTTDP1

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-116178229-B N-acyl sulfilimine compound and preparation method thereof 石河子大学 2024-03-15 — — CN disclosed
CN-116178229-A N-acyl sulfilimine compound and preparation method thereof 石河子大学 2023-05-30 — — CN disclosed
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