SCHEMBL28215774

SCHEMBL28215774

O=S(=O)(CCN1CCC(CO)CC1)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.59
LTA4H P09960 1/20 0.44
CCR3 P51677 2/20 0.44
CARM1 Q86X55 2/20 0.42
PRMT6 Q96LA8 2/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL19025353 0.82 KDM1A (0.63) KDM1ACARM1PRMT6ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL30024181 0.79 KDM1A (0.53) KDM1ALTA4HALDH1A1L3MBTL1
SCHEMBL28649034 0.79 KDM1A (0.54) KDM1ACARM1PRMT6ALDH1A1
SCHEMBL28215804 0.77 KMT2A (0.61) KDM1AALDH1A1
SCHEMBL19025402 0.74 KDM1A (1.00) KDM1A
SCHEMBL28216312 0.74 LTA4H (0.43) LTA4HCCR3SLC6A3
SCHEMBL19025304 0.73 KDM1A (0.60) KDM1A
SCHEMBL6447895 0.72 BCHE (0.43) LTA4H
SCHEMBL2019709 0.70 HTT (0.64) ALDH1A1L3MBTL1RAB9A
SCHEMBL30024136 0.70 PARP1 (0.49) KDM1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922362-A 1,3, 4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same 株式会社钟根堂 2018-04-17 CN disclosed