SCHEMBL4468253

SCHEMBL4468253

O=C(O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 4/20 0.77
CSNK2A1 P68400 4/20 0.77
CSNK2B P67870 3/20 0.77
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 1/20 0.64
MAPT P10636 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
LMNA P02545 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
MGAM O43451 1/20 0.57
GAA P10253 1/20 0.57
SI P14410 1/20 0.57
MGAM2 Q2M2H8 1/20 0.57
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
DUSP3 P51452 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL13783895 0.87 CSNK2A2 (0.75) CSNK2A2CSNK2A1CSNK2BHDAC1HDAC2
SCHEMBL10750591 0.83 CSNK2A2 (0.69) CSNK2A2CSNK2A1CSNK2BHDAC1HDAC2
SCHEMBL3828303 0.79 NPC1 (0.71) CSNK2A2CSNK2A1MEN1KMT2ARAB9A
SCHEMBL1594204 0.79 CSNK2A2 (0.50) CSNK2A2CSNK2A1CSNK2BHDAC1HDAC2
SCHEMBL1594202 0.79 CSNK2A2 (0.50) CSNK2A2CSNK2A1CSNK2BHDAC1HDAC2
SCHEMBL4459490 0.78 HDAC1 (0.62) CSNK2A2CSNK2A1HDAC1HDAC2MAPT
SCHEMBL28007100 0.78 CSNK2A2 (0.55) CSNK2A2CSNK2A1CSNK2BHDAC1HDAC2
SCHEMBL11395495 0.77 CSNK2A2 (0.65) CSNK2A2CSNK2A1CSNK2BHDAC1HDAC2
SCHEMBL13723187 0.76 GAA (0.66) CSNK2A2CSNK2A1CSNK2BHDAC1HDAC2
SCHEMBL8880665 0.75 MGAM (0.56) CSNK2A2CSNK2A1CSNK2BHDAC1HDAC2

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-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed