SCHEMBL3726655

SCHEMBL3726655

N=C(N)NCCC[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.46
▸ CTSL P07711 10/20 0.45
▸ P2RX7 Q99572 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ CTSB P07858 6/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41

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
SCHEMBL2193250 0.79 SSTR3 (0.57) CTSLKDM1AMAOA
SCHEMBL27388030 0.79 TGM2 (0.69) TGM2CTSLHDAC1HDAC2
SCHEMBL27388031 0.79 TGM2 (0.69) TGM2CTSLHDAC1HDAC2
SCHEMBL2268022 0.79 SIRT5 (0.57) TGM2
Hydrochloric Acid SCHEMBL10943848 0.78 SIRT5 (0.56) TGM2
Hydrochloric Acid SCHEMBL10884941 0.78 SIRT5 (0.56) TGM2
SCHEMBL5052635 0.78 PPIA (0.42) TGM2MAOA
SCHEMBL10481501 0.77 CTSL (0.43) TGM2CTSLCTSB
SCHEMBL17289476 0.77 SIRT5 (0.55) TGM2
Bromide SCHEMBL9447770 0.77 MEN1 (0.38) TGM2CTSLMMP1MMP2MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022018-A1 RAPID DETECTION OF SULFHYDRYL COMPOUNDS USING A PAPAIN BASED ASSAY E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-28 — — US disclosed
WO-2008066832-A2 RAPID DETECTION OF SULFHYDRYL COMPOUNDS USING A PAPAIN BASED ASSAY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-06-05 — — WO disclosed
Send feedback