SCHEMBL2280848

SCHEMBL2280848

O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Cc1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.71
CA1 P00915 3/20 0.71
CA2 P00918 3/20 0.71
CA9 Q16790 3/20 0.71
FTO Q9C0B1 2/20 0.60
PABPC1 P11940 2/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 1/20 0.59
S1PR1 P21453 1/20 0.59
HTT P42858 1/20 0.59
RAD52 P43351 1/20 0.59
RECQL P46063 1/20 0.59
RAB9A P51151 1/20 0.59
PAX8 Q06710 1/20 0.59
NTRK1 P04629 1/20 0.55
NGFR P08138 1/20 0.55
LCK P06239 1/20 0.52

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
SCHEMBL2280844 1.00 CA12 (0.71) CA12CA1CA2CA9FTO
SCHEMBL3856490 0.89 CA12 (0.76) CA12CA1CA2CA9FTO
SCHEMBL14636119 0.86 CA12 (0.78) CA12CA1CA2CA9FTO
SCHEMBL3853199 0.83 CA12 (0.70) CA12CA1CA2CA9FTO
SCHEMBL2365090 0.81 MPO (0.58) CA12CA1CA2CA9FTO
SCHEMBL2365089 0.81 MPO (0.58) CA12CA1CA2CA9FTO
SCHEMBL1893251 0.78 FTO (0.72) CA12CA1CA2CA9FTO
SCHEMBL2285573 0.78 FTO (0.72) CA12CA1CA2CA9FTO
SCHEMBL1901643 0.78 FTO (0.72) CA12CA1CA2CA9FTO
SCHEMBL4234600 0.78 CLTC (0.59) CA12CA1CA2CA9FTO

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-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 WO disclosed