SCHEMBL28009239

SCHEMBL28009239

COCCOc1c[c]cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
LMNA P02545 6/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 6/20 0.39
KMT2A Q03164 2/20 0.38
S1PR4 O95977 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL16954918 0.85 MAPT (0.49) CHRNB2CHRNA4LMNAMAPTKMT2A
SCHEMBL17046368 0.81 TSHR (0.44) CHRNB2CHRNA4LMNAALDH1A1MAPT
SCHEMBL16950939 0.81 CHRNB2 (0.41) CHRNB2CHRNA4LMNAALDH1A1MAPT
SCHEMBL16956571 0.81 MAPT (0.51) CHRNB2CHRNA4LMNAALDH1A1MAPT
SCHEMBL6834623 0.80 LMNA (0.50) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL30833154 0.79 CHRNB2 (0.68) CHRNB2CHRNA4LMNAALDH1A1MAPT
SCHEMBL18677858 0.79 TSHR (0.53) CHRNB2CHRNA4LMNAALDH1A1MAPT
SCHEMBL3460244 0.79 CHRNB2 (0.68) CHRNB2CHRNA4LMNAALDH1A1MAPT
SCHEMBL15156144 0.78 MAPT (0.56) CHRNB2CHRNA4LMNAALDH1A1MAPT
SCHEMBL15155997 0.78 S1PR4 (0.41) CHRNB2CHRNA4LMNAALDH1A1MAPT

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-104640861-A Purinone compounds as kinase inhibitors PHARMACYCLICS INC 2015-05-20 CN disclosed