SCHEMBL16654029

SCHEMBL16654029

Cc1nc(N(C)Cc2ccc(OC(F)F)cc2)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.43
MAPT P10636 4/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE2A O00408 1/20 0.35
ALDH3A1 P30838 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL16666087 0.81 HTT (0.42) LMNAHTTMAPTPOLBMEN1
SCHEMBL30316885 0.77 POLB (0.42) LMNAHTTMAPTPOLBKMT2A
SCHEMBL16666097 0.74 HTT (0.37) LMNAHTTMAPTMEN1KMT2A
SCHEMBL16653795 0.67
SCHEMBL16654038 0.67
SCHEMBL16653794 0.67
SCHEMBL493054 0.66 MAPT (0.44) LMNAHTTMAPTMEN1KMT2A
SCHEMBL1559736 0.64 CYP1A2 (0.37) LMNAHTTMAPTPOLBMEN1
SCHEMBL38665481 0.64 CYP1A2 (0.44) LMNAMAPTPOLBALDH1A1
SCHEMBL6826580 0.63 MAPT (0.52) LMNAHTTMAPTMEN1KMT2A

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-2015055764-A1 3-METHANIMIDAMID-PYRIDINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-04-23 WO disclosed