SCHEMBL28026832

SCHEMBL28026832

O=[N+]([O-])c1n[nH]cc1CC1CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL28186786 0.75 TSHR (0.40)
SCHEMBL11561999 0.75 MAPT (0.34)
SCHEMBL15740565 0.75 MAPT (0.34)
SCHEMBL2551773 0.75 GAA (0.34) HRH3
SCHEMBL31325065 0.69 HTR1A (0.32)
SCHEMBL43356 0.68 GPR35 (0.38)
SCHEMBL319993 0.65
SCHEMBL9324324 0.65
SCHEMBL11561961 0.65
SCHEMBL28116330 0.65

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
CN-104955824-A Aminopyrimidine compounds as inhibitors of t790m containing egfr mutants GENENTECH INC 2015-09-30 CN disclosed