SCHEMBL6235889

SCHEMBL6235889

O=[N+]([O-])c1cccnc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TRPV1 Q8NER1 3/20 0.47
SCN2A Q99250 1/20 0.47
PIM1 P11309 1/20 0.47
KCNA5 P22460 3/20 0.46
KCNH2 Q12809 1/20 0.46
NFKBIA P25963 1/20 0.45
RELA Q04206 1/20 0.45
SLC40A1 Q9NP59 1/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP3 P42574 1/20 0.45

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
SCHEMBL8529578 0.81 PDE10A (0.47) MAPTLMNATRPV1PIM1SLC40A1
SCHEMBL14053276 0.78 HSP90AA1 (0.49) MAPTSMN1; SMN2LMNAGAAHTT
SCHEMBL7230237 0.78 MAP4K4 (0.47) MAPTGAATRPV1PIM1NPC1
SCHEMBL444703 0.77 ALDH1A1 (0.53) MAPTTRPV1NPC1CYP1A2CYP2C19
SCHEMBL28185546 0.77 SCN2A (0.44) MAPTGAASCN2ANPC1CYP3A4
SCHEMBL8981842 0.77 ALDH1A1 (0.59) MAPTLMNASCN2ACYP3A4EIF4E
SCHEMBL16097359 0.76 ERN1 (0.51) MAPTTRPV1PDE10APDE4DMAPK1
SCHEMBL8529531 0.75 ALDH1A1 (0.46) MAPTLMNAGAATRPV1CYP1A2
SCHEMBL16119989 0.75 ALDH1A1 (0.51) TRPV1PDE10APDE4DPOLB
SCHEMBL27866903 0.75 DYRK1A (0.56) MAPTSMN1; SMN2LMNAGAAKCNA5

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-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed