SCHEMBL4048259

SCHEMBL4048259

CC(C)=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ERN1 O75460 1/20 0.53
MAOB P27338 1/20 0.50
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 3/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
XDH P47989 2/20 0.47
CA12 O43570 1/20 0.47
SOS1 Q07889 1/20 0.47
FBP1 P09467 1/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 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
SCHEMBL1070702 0.85 FBP1 (0.62) MAPTNPSR1ERN1MAOBALDH1A1
SCHEMBL1070703 0.85 FBP1 (0.62) MAPTNPSR1ERN1MAOBALDH1A1
SCHEMBL14269671 0.85 MAPT (0.59) MAPTNPSR1ERN1MAOBALDH1A1
SCHEMBL11761369 0.84 ERN1 (0.72) MAPTNPSR1ERN1ALDH1A1ATM
SCHEMBL21878526 0.84 MAPT (0.58) MAPTNPSR1ERN1MAOBALDH1A1
SCHEMBL8038703 0.84 MAPT (0.71) MAPTNPSR1ERN1MAOBALDH1A1
SCHEMBL21878527 0.84 MAPT (0.58) MAPTNPSR1ERN1MAOBALDH1A1
SCHEMBL11767051 0.82 MAPT (0.56) MAPTNPSR1ERN1MAOBALDH1A1
SCHEMBL1628289 0.82 MAPT (0.60) MAPTNPSR1ERN1MAOBALDH1A1
SCHEMBL1628295 0.82 MAPT (0.60) MAPTNPSR1ERN1MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed
EP-0667864-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY. ZENECA LTD (GB) 1995-08-23 EP disclosed
WO-1994011354-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LIMITED (GB) 1994-05-26 WO disclosed