SCHEMBL28026558

SCHEMBL28026558

Cc1ccc(S(=O)(=O)C(N)(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
KMT2A Q03164 1/20 0.46
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
CA12 O43570 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ATM Q13315 1/20 0.45
CA9 Q16790 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.44
TAS2R14 Q9NYV8 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MCHR1 Q99705 1/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 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
SCHEMBL28026557 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HIF1AKMT2AACHEBCHE
SCHEMBL6544963 0.85 ACHE (0.49) SMN1; SMN2KMT2AACHEBCHECYP1A2
SCHEMBL7372959 0.83 ALDH1A1 (0.45) KMT2AACHEBCHECA12CYP1A2
SCHEMBL4453723 0.79 CYP3A4 (0.51) KMT2AACHEBCHECA12CYP1A2
SCHEMBL29514938 0.77 ALDH1A1 (0.40) SMN1; SMN2KMT2ACA12CYP3A4CA9
SCHEMBL27560670 0.76 PSIP1 (0.44) SMN1; SMN2HIF1AKMT2ACA12CYP1A2
SCHEMBL382142 0.74 SMN1; SMN2 (0.44) SMN1; SMN2HIF1AKMT2ACA12CA9
SCHEMBL27770239 0.74 SMN1; SMN2 (0.44) SMN1; SMN2HIF1AKMT2ACA12CA9
SCHEMBL7651608 0.74 SMN1; SMN2 (0.44) SMN1; SMN2HIF1AKMT2ACA12CA9
SCHEMBL5031190 0.74 CYP3A4 (0.46) SMN1; SMN2KMT2AACHEBCHECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104876856-B A kind of method that Split Method prepares (R) (+) 3 amino piperidine dihydrochloride 河北凯力昂生物科技有限公司 2017-11-21 CN disclosed
CN-104829459-B Splitting method for preparing (R)-(+)-1-naphthyl ethylamine 河北凯力昂生物科技有限公司 2017-05-24 CN disclosed
CN-104876856-A Method for preparing (R)-(+)-3-piperidinamine dihydrochloride by using resolution method HEBEI KAILIANG BIOTECHNOLOGY CO LTD 2015-09-02 CN disclosed
CN-104829459-A Splitting method for preparing (R)-(+)-1-naphthyl ethylamine HEBEI CHIRAL CHEMISTRY AND BIOTECHNOLOGY CO LTD 2015-08-12 CN disclosed