SCHEMBL4414381

SCHEMBL4414381

CNC(=O)CC1(C(N)=O)CC(C)=NO1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4417908 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16661937 0.66 ITGB1 (0.34)
SCHEMBL25061767 0.64 F10 (0.38) ALDH1A1
SCHEMBL24471503 0.62 ATM (0.36)
SCHEMBL25061588 0.59 LMNA (0.36) ALDH1A1
SCHEMBL23644565 0.57 ITGB1 (0.33)
SCHEMBL15774776 0.57 ALDH1A1 (0.41) ALDH1A1
SCHEMBL17052485 0.55
SCHEMBL19968155 0.55 KDM4E (0.30)
SCHEMBL16996712 0.55 KDM4E (0.32)

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-2124943-A1 PYRAZOLO [3, 4-B]PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-12-02 EP claimed
WO-2008111009-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-09-18 WO claimed
EP-2124943-A1 PYRAZOLO [3, 4-B]PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-12-02 EP disclosed
WO-2008111009-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-09-18 WO disclosed