SCHEMBL8401805

SCHEMBL8401805

CN(Cc1ccc(Br)nc1)C(=C[N+](=O)[O-])NCCF

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
FPR2 P25090 1/20 0.30
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
ATP4A P20648 1/20 0.30
ACHE P22303 1/20 0.30
PTGS1 P23219 1/20 0.30
HRH2 P25021 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL8406507 0.88 MMP2 (0.34) MMP2MMP9MMP8MMP13
SCHEMBL8698688 0.87 MMP2 (0.34) MMP2MMP9MMP8MMP13
SCHEMBL7658367 0.85 MMP2 (0.35) MMP2MMP9MMP8MMP13MEN1
SCHEMBL8404112 0.83 MMP2 (0.34) MMP2MMP9MMP8MMP13
SCHEMBL8401940 0.79 ACHE (0.31) FPR2MEN1SLC22A1ABCB11LMNA
SCHEMBL7670523 0.79 MMP2 (0.36) MMP2MMP9MMP8MMP13LMNA
SCHEMBL8066300 0.78 MMP2 (0.35) MMP2MMP9MMP8MMP13
SCHEMBL7667177 0.78 MMP2 (0.35) MMP2MMP9MMP8MMP13FPR2
SCHEMBL7662040 0.77 FPR2 (0.37) MMP2MMP9MMP8MMP13FPR2
SCHEMBL8401715 0.77 FAAH (0.38) MEN1CYP2C19KMT2A

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
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed