SCHEMBL8406507

SCHEMBL8406507

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
ACVR1 Q04771 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
SCHEMBL8698688 0.90 MMP2 (0.34) MMP2MMP9MMP8MMP13
SCHEMBL7658367 0.88 MMP2 (0.35) MMP2MMP9MMP8MMP13
SCHEMBL8401805 0.88 MMP2 (0.35) MMP2MMP9MMP8MMP13
SCHEMBL8404112 0.86 MMP2 (0.34) MMP2MMP9MMP8MMP13
SCHEMBL3282952 0.86 ALDH1A1 (0.38)
SCHEMBL7670523 0.82 MMP2 (0.36) MMP2MMP9MMP8MMP13
SCHEMBL7667177 0.81 MMP2 (0.35) MMP2MMP9MMP8MMP13
SCHEMBL7686987 0.80 RIPK1 (0.48)
SCHEMBL7662040 0.80 FPR2 (0.37) MMP2MMP9MMP8MMP13
SCHEMBL235768 0.79 MMP2 (0.34) MMP2MMP9MMP8MMP13

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