SCHEMBL2863137

SCHEMBL2863137

O=C(NCc1ccccc1)Oc1cnn(-c2ccccc2[N+](=O)[O-])c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BCHE P06276 1/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
CDK2 P24941 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
CCR1 P32246 1/20 0.37
ATM Q13315 1/20 0.37
ENPP2 Q13822 1/20 0.37
HPGD P15428 2/20 0.36
CYP1A2 P05177 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
SCHEMBL2859089 0.92 ATG4B (0.43) GAAMEN1KMT2AATG4BCCR1
SCHEMBL2850470 0.91 CCR1 (0.49) ATG4BCCR1
SCHEMBL2852396 0.91 LMNA (0.45) GAAPOLBATG4BCCR1ENPP2
SCHEMBL2859075 0.91 NPC1 (0.41) GAAMEN1KMT2AATG4B
SCHEMBL2859287 0.89 TSHR (0.40) CCR1PKM
SCHEMBL2854333 0.86 RAB9A (0.52) GAAMEN1KMT2APOLBHTT
SCHEMBL2861197 0.85 CCR1 (0.51) GAAMEN1KMT2ABCHEPOLB
SCHEMBL2854121 0.83 KMT2A (0.44) GAAMEN1KMT2APOLBHPGD
SCHEMBL2848347 0.83 GAA (0.51) GAAMEN1KMT2APOLBHTT
SCHEMBL2861243 0.82 KDM4E (0.52) MEN1KMT2APOLBNCEH1CCR1

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed