SCHEMBL28335441

SCHEMBL28335441

NC(=O)OCc1c(F)cccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MMP1 P03956 3/20 0.42
MMP2 P08253 3/20 0.42
MMP9 P14780 2/20 0.42
MMP12 P39900 2/20 0.42
MAOB P27338 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
NQO1 P15559 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
IDO1 P14902 2/20 0.37
GAA P10253 1/20 0.36
MPO P05164 2/20 0.35
CA5A P35218 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6901171 0.86 MMP1 (0.53) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL27803787 0.80 MMP1 (0.44) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL28740447 0.80 NQO1 (0.42) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL28740381 0.79 ALDH1A1 (0.47) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL29668885 0.78 SCN1A (0.40) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL28740265 0.78 RIPK1 (0.40) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL30211075 0.78 ALDH1A1 (0.64) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL5766366 0.78 ALDH1A1 (0.64) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL28337762 0.77 RIPK1 (0.39) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL28686546 0.76 SMN1; SMN2 (0.46) ALDH1A1MMP1MMP2MMP9MMP12

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-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed
CN-110325531-A Benzsulfamide and its purposes as therapeutic agent 泽农医药公司 2019-10-11 CN disclosed