SCHEMBL725593

SCHEMBL725593

O=C(O)N1CCNc2ncccc2C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 14/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
BRS3 P32247 4/20 0.37

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
SCHEMBL725393 0.80 MAPK1 (0.67) IDH1MAPK1
SCHEMBL6633559 0.77 FNTA (0.53)
SCHEMBL30895899 0.77 FNTA (0.53)
SCHEMBL2818152 0.76 MAPK1 (0.63) MAPK1L3MBTL1
SCHEMBL4079865 0.75 ABHD6 (0.38) MAPK1L3MBTL1BRS3
SCHEMBL28029173 0.75 RIPK1 (0.49)
SCHEMBL30314393 0.75 RIPK1 (0.49)
SCHEMBL8203594 0.72 DPP8 (0.55)
SCHEMBL29992618 0.72 DPP8 (0.55)
SCHEMBL31477451 0.72 NOS1 (0.39) IDH1

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
EP-2579863-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS Affinium Pharmaceuticals, Inc. (CA) 2013-04-17 EP disclosed
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 WO disclosed