SCHEMBL28533341

SCHEMBL28533341

O=S(=O)(O)c1ccccc1NCc1ccccc1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
CISD1 Q9NZ45 1/20 0.45
CA2 P00918 5/20 0.44
CA12 O43570 4/20 0.44
CA7 P43166 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA9 Q16790 3/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
IDO1 P14902 1/20 0.44
CA1 P00915 4/20 0.43
BRS3 P32247 1/20 0.43
TTR P02766 1/20 0.43
FABP4 P15090 1/20 0.43
CCNA2 P20248 1/20 0.43

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
SCHEMBL29377096 0.98 HSD17B10 (0.55) HSD17B10L3MBTL1HPGDKDM4ETSHR
SCHEMBL401444 0.98 HSD17B10 (0.55) HSD17B10L3MBTL1HPGDKDM4ETSHR
SCHEMBL28535503 0.97 HSD17B10 (0.53) HSD17B10L3MBTL1HPGDKDM4ETSHR
SCHEMBL2742893 0.83 TTR (0.62) HSD17B10L3MBTL1HPGDKDM4ETSHR
SCHEMBL28984186 0.81 PTGES2 (0.58) HSD17B10L3MBTL1CISD1CA2CA12
SCHEMBL9353766 0.80 HSD17B10 (0.42) HSD17B10L3MBTL1HPGDKDM4ETSHR
SCHEMBL10582381 0.80 MAPT (0.62) HSD17B10L3MBTL1KDM4ECISD1CA2
SCHEMBL7365224 0.80 BRS3 (0.62) HSD17B10HPGDKDM4ETSHRCA2
Potassium Ion SCHEMBL31251952 0.79 HSD17B10 (0.53) HSD17B10L3MBTL1HPGDKDM4ETSHR
SCHEMBL29196784 0.79 P2RY4 (0.56) HSD17B10L3MBTL1HPGDKDM4ETSHR

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-108404644-B Formaldehyde trapping agent and preparation and application methods thereof 福建工程学院 2021-03-30 CN claimed