SCHEMBL27874656

SCHEMBL27874656

C[S+]([O-])C(N)c1cc[c]cc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL27509074 0.70 DPP4 (0.36)
SCHEMBL15954726 0.69
SCHEMBL1382152 0.69
SCHEMBL28299258 0.69
SCHEMBL5698541 0.68
Dimethyl Sulfoxide SCHEMBL28460386 0.67 MEN1 (0.35)
SCHEMBL5570701 0.67 KDM4E (0.35)
SCHEMBL28199154 0.66
SCHEMBL2879092 0.65 PDE2A (0.32)
SCHEMBL196119 0.64

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
CN-101516860-B Benzoxazoles and oxazolopyridines being useful as FANUS kinases inhibitors NOVARTIS AG 2012-06-27 CN claimed
CN-101516860-A Benzoxazoles and oxazolopyridines being useful as FANUS kinases inhibitors NOVARTIS AG (CH) 2009-08-26 CN claimed
CN-101516860-B Benzoxazoles and oxazolopyridines being useful as FANUS kinases inhibitors NOVARTIS AG 2012-06-27 CN disclosed
CN-101516860-A Benzoxazoles and oxazolopyridines being useful as FANUS kinases inhibitors NOVARTIS AG (CH) 2009-08-26 CN disclosed