SCHEMBL6270872

SCHEMBL6270872

O=C1[N]NN(c2cccc(F)c2)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
ALOX5 P09917 2/20 0.44
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
KEAP1 Q14145 1/20 0.39
KMT2A Q03164 2/20 0.38
METAP2 P50579 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MPI P34949 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
NOTUM Q6P988 1/20 0.35

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
SCHEMBL6274944 0.81 ALOX5 (0.45) ALDH1A1GAAMAPTMGLLALOX5
SCHEMBL1827924 0.80 HTT (0.51) ALDH1A1POLBGAAMAPTALOX5
SCHEMBL16296191 0.71 ALDH1A1 (0.47) ALDH1A1POLBGAAMAPTFAAH
SCHEMBL6271676 0.68 TRPV1 (0.40) MPIADORA3NOTUM
SCHEMBL17537374 0.66 FAAH (0.59) ALDH1A1POLBGAAMAPTFAAH
SCHEMBL10947683 0.66 FAAH (0.49) ALDH1A1POLBGAAMAPTFAAH
SCHEMBL6269880 0.65 IGF1R (0.38) ALDH1A1
SCHEMBL13672252 0.65 FAAH (0.52) ALDH1A1POLBGAAMAPTFAAH
SCHEMBL23931446 0.64 HTT (0.65) ALDH1A1POLBGAAMAPTFAAH
SCHEMBL7536022 0.64 MAPT (0.56) ALDH1A1POLBGAAMAPTFAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 WO disclosed