SCHEMBL1034197

SCHEMBL1034197

NC(=O)c1ccnc(-c2ccc(C(F)(F)F)cc2C2CCNCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.41
HTR6 P50406 1/20 0.40
MAPK1 P28482 1/20 0.40
P2RY14 Q15391 4/20 0.39
HTR2C P28335 4/20 0.39
PLAT P00750 1/20 0.39
CCR6 P51684 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
AURKA O14965 1/20 0.37
PDE2A O00408 1/20 0.37
PDE5A O76074 1/20 0.37
EGFR P00533 1/20 0.37
INSR P06213 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL1035168 0.86 NPY5R (0.41) HTR6MAPK14EGFRHTR1ASLC6A2
SCHEMBL1846196 0.82 SLC6A2 (0.40) HTR6MAPK14HTR1ASLC6A2SLC6A4
SCHEMBL1076389 0.78 KDM4B (0.45) MRGPRX4AURKAMAP2K4
SCHEMBL1034167 0.75 STAT3 (0.41)
SCHEMBL1031736 0.75 STAT3 (0.41) OPRK1
SCHEMBL29050696 0.74 JAK2 (0.44)
SCHEMBL26599370 0.73 KDM5C (0.45) EGFROPRK1
SCHEMBL30606793 0.73 KDM5C (0.45) EGFROPRK1
SCHEMBL3718581 0.71 HDAC1 (0.56) P2RY14AURKAOPRD1MAP2K4
SCHEMBL29932964 0.71 HDAC1 (0.56) P2RY14AURKAOPRD1MAP2K4

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-2011003684-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-01-13 WO disclosed