SCHEMBL6608864

SCHEMBL6608864

[CH2]C(NC(=O)OC(C)(C)C)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
NAMPT P43490 2/20 0.47
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CYP3A4 P08684 8/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.40
KCNA5 P22460 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL14923474 0.85 RAB9A (0.46) RAB9ANAMPTCTSSCTSKCYP3A4
SCHEMBL6608688 0.82 CYP17A1 (0.44) RAB9ANAMPTCTSSCTSKMAPT
SCHEMBL1480134 0.82 CTSS (0.50) RAB9ANAMPTCTSSCTSKCYP3A4
SCHEMBL4148003 0.82 CTSS (0.50) RAB9ANAMPTCTSSCTSKCYP3A4
SCHEMBL4148011 0.82 CTSS (0.50) RAB9ANAMPTCTSSCTSKCYP3A4
SCHEMBL1194009 0.82 CTSK (0.55) CTSSCTSKMAPT
SCHEMBL1193789 0.82 CTSK (0.55) CTSSCTSKMAPT
SCHEMBL6609045 0.82 CTSK (0.55) CTSSCTSKMAPT
SCHEMBL25222264 0.81 RAB9A (0.47) RAB9ANAMPTCTSSCTSKCYP3A4
SCHEMBL25269953 0.81 RAB9A (0.47) RAB9ANAMPTCTSSCTSKCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO disclosed