SCHEMBL7834338

SCHEMBL7834338

CCOC(=O)[C@@H](CNC(=O)c1ccc(C(=O)Nc2ccc(C(=N)NO)cc2)s1)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPN P05981 12/20 0.48
PLAU P00749 10/20 0.48
AR P10275 1/20 0.45
MMP9 P14780 1/20 0.45
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 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
SCHEMBL7842910 0.70 LMNA (0.56) LMNASMN1; SMN2
SCHEMBL4040020 0.67 GAA (0.52) HPNPLAUMMP9ALDH1A1HSD17B10
SCHEMBL7835649 0.67 GAA (0.52) HPNPLAUMMP9ALDH1A1HSD17B10
SCHEMBL14011605 0.67 GAA (0.52) HPNPLAUMMP9ALDH1A1HSD17B10
SCHEMBL28560480 0.66 KMT2A (0.55) MMP9ALDH1A1HSD17B10HPGDLMNA
SCHEMBL28554116 0.66 GAA (0.55) MMP9ALDH1A1HSD17B10HPGDLMNA
SCHEMBL30988968 0.66 GAA (0.55) MMP9ALDH1A1HSD17B10HPGDLMNA
Hydrochloric Acid SCHEMBL7347096 0.66 GAA (0.51) HPNPLAUMMP9ALDH1A1HSD17B10
SCHEMBL9272964 0.65 CA2 (0.50) HPNPLAUMMP9ALDH1A1HSD17B10
SCHEMBL25961785 0.65 CA2 (0.50) HPNPLAUMMP9ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023295-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 2001-01-24 EP disclosed
EP-1023295-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1998034935-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-08-13 WO disclosed