SCHEMBL13370534

SCHEMBL13370534

NC1=Nc2cc(B(O)O)ccc2C2C[C@@H]12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 19/20 0.47
NOS3 P29474 17/20 0.47
NOS2 P35228 17/20 0.47
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ENPP2 Q13822 1/20 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
SCHEMBL3784565 0.62 ENPP2 (0.44) KDM4EALDH1A1ENPP2
SCHEMBL12928903 0.62 NOS3 (0.50) NOS1NOS3NOS2KDM4EALDH1A1
SCHEMBL6642652 0.62 NOS1 (0.63) NOS1NOS3NOS2
SCHEMBL6646529 0.61 NOS1 (0.67) NOS1NOS3NOS2
SCHEMBL6644288 0.61 NOS1 (0.79) NOS1NOS3NOS2
SCHEMBL3787449 0.60 ENPP2 (0.41) KDM4EALDH1A1ENPP2
SCHEMBL3791170 0.60 ENPP2 (0.41) NOS1NOS3NOS2KDM4EALDH1A1
SCHEMBL14752221 0.60 ENPP2 (0.38) KDM4EALDH1A1ENPP2
SCHEMBL3786309 0.59 ENPP2 (0.40) KDM4EALDH1A1ENPP2
SCHEMBL3790291 0.59 ENPP2 (0.40) KDM4EALDH1A1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010051043-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-05-06 WO disclosed