SCHEMBL28296744

SCHEMBL28296744

Cc1cc(N(c2ccccc2)S(C)(=O)=O)cc(C)c1N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.35
ESR1 P03372 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
NR3C2 P08235 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1704542 0.81 PKM (0.50) PKMESR1ALDH1A1CA12CA9
SCHEMBL26908434 0.76 TSHR (0.35) PKMRECQLESR1ALDH1A1TSHR
SCHEMBL23445675 0.74 ALDH1A1 (0.52) CYP1A1CYP1A2ALDH1A1TSHRTP53
SCHEMBL28295005 0.72 SMN1; SMN2 (0.35) ESR1CYP1A1CYP1A2ALDH1A1TSHR
SCHEMBL27792301 0.71 PKM (0.39) PKMESR1ALDH1A1CA12CA9
SCHEMBL9051259 0.71 L3MBTL1 (0.47) ALDH1A1TSHRL3MBTL1
SCHEMBL5928621 0.71 TPMT (0.47) RECQLESR1ALDH1A1TDP1L3MBTL1
SCHEMBL11123788 0.70 L3MBTL1 (0.46) PKMALDH1A1L3MBTL1LMNAPOLB
SCHEMBL12505329 0.70 MAPT (0.44) RECQLALDH1A1TP53TDP1L3MBTL1
SCHEMBL5720749 0.69 KDM4E (0.43) PKMALDH1A1TSHRL3MBTL1LMNA

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-109890206-A Anil that 4- is substituted and its plant pathogenic microorganisms being not intended in confrontation are with the purposes on cover crop 印度商皮埃企业有限公司 2019-06-14 CN disclosed