SCHEMBL9979815

SCHEMBL9979815

CCOC(=O)c1c[nH]c(C)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.64
MAPT P10636 5/20 0.60
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.49
PRKCZ Q05513 1/20 0.48
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL7439474 0.91 AR (0.60) ARMAPTGAASMN1; SMN2MEN1
SCHEMBL276059 0.85 AR (0.56) ARMAPTGAASMN1; SMN2MEN1
SCHEMBL276472 0.85 MAPT (0.58) ARMAPTGAASMN1; SMN2MEN1
SCHEMBL276917 0.85 AR (0.59) ARMAPTGAASMN1; SMN2MEN1
SCHEMBL30741020 0.81 AR (0.51) ARMAPTGAASMN1; SMN2RAB9A
SCHEMBL276323 0.79 AR (0.56) ARMAPTGAASMN1; SMN2RAB9A
SCHEMBL4779958 0.79 AR (0.56) ARMAPTGAASMN1; SMN2MEN1
SCHEMBL30740973 0.79 AR (0.48) ARMAPTGAASMN1; SMN2MEN1
SCHEMBL2903730 0.78 AR (1.00) ARMAPTGAASMN1; SMN2MEN1
SCHEMBL2659125 0.78 MAPT (0.56) ARMAPTSMN1; SMN2MEN1KMT2A

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
EP-2465505-A1 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis Bayer HealthCare LLC (US) 2012-06-20 EP disclosed