SCHEMBL1035168

SCHEMBL1035168

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.41
HTR1A P08908 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 2/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4A O75164 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
HTR6 P50406 2/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
KDM4B O94953 1/20 0.38
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
CDK1 P06493 2/20 0.38
CDK9 P50750 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK2 P24941 1/20 0.38
CASP3 P42574 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL1846196 0.90 SLC6A2 (0.40) NPY5RHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL1034197 0.86 SCN9A (0.41) HTR1ASLC6A2SLC6A4SLC6A3MAPK14
SCHEMBL29050696 0.76 JAK2 (0.44) KDM4BKDM5CKDM5BPARP1DDB1
SCHEMBL30606793 0.75 KDM5C (0.45) KDM4AKDM4CALOX5APFEN1KDM4B
SCHEMBL26599370 0.75 KDM5C (0.45) KDM4AKDM4CALOX5APFEN1KDM4B
SCHEMBL1035443 0.74 AKT1 (0.41) KDM4AKDM4CALOX5APFEN1KDM5B
SCHEMBL6118725 0.71 PRKD1 (0.45) KDM4BKDM5CKDM5BPARP1DDB1
SCHEMBL5321644 0.71 JAK2 (0.47) HTR1ASLC6A2SLC6A4SLC6A3HTR1F
SCHEMBL22648495 0.70 JAK2 (0.45) JAK2JAK1TYK2JAK3
SCHEMBL1847418 0.70 PRKAA2 (0.44) MAPK14KDM4AKDM4CKDM5B

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