SCHEMBL3898487

SCHEMBL3898487

COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.64
TGM2 P21980 12/20 0.64
F13A1 P00488 9/20 0.64
TGM1 P22735 6/20 0.64
PKM P14618 1/20 0.57
ALDH1A1 P00352 1/20 0.52
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP9 P14780 1/20 0.52
STS P08842 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL1253831 0.87 TGM2 (0.63) TGM2F13A1TGM1PKMSTS
SCHEMBL18153290 0.85 PKM (0.66) TGM2F13A1TGM1PKMALDH1A1
SCHEMBL18410584 0.84 TGM2 (0.65) TGM2F13A1TGM1PKMALDH1A1
SCHEMBL3910274 0.83 TGM2 (0.64) TGM2F13A1TGM1PKMSTS
SCHEMBL1181084 0.83 PKM (0.73) TGM2F13A1TGM1PKMALDH1A1
SCHEMBL29060791 0.83 TGM2 (0.64) TGM2F13A1TGM1PKMLMNA
SCHEMBL5253160 0.83 POLB (0.70) TGM2F13A1TGM1STSLMNA
SCHEMBL710366 0.83 TGM2 (0.64) TGM2F13A1TGM1PKM
SCHEMBL1684972 0.83 TGM2 (0.69) TGM2F13A1TGM1PKMSTS
SCHEMBL27200534 0.83 TGM2 (0.64) TGM2F13A1TGM1PKMSTS

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
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed
CN-1243505-A Benzamidine derivatives AJINOMOTO KK (JP) 2000-02-02 CN disclosed