SCHEMBL12239062

SCHEMBL12239062

CC(=O)N1CCC2(CC1)CN/C(=N\C(=O)c1nc(I)c(N)nc1N)N2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL12239065 0.89 PLAU (0.39) PLAU
SCHEMBL12238996 0.89 PLAU (0.36) PLAU
SCHEMBL12215881 0.88 ALDH1A1 (0.39) PLAUMEN1KMT2ACYP2C9TSHR
SCHEMBL12239199 0.86 PLAU (0.35) PLAU
SCHEMBL12239014 0.85 CYP3A4 (0.40) MEN1KMT2ACYP2C9TSHRALDH1A1
SCHEMBL12238857 0.85 L3MBTL1 (0.34) PLAUMEN1KMT2A
SCHEMBL12239807 0.84 PLAU (0.34) PLAUMEN1KMT2ATSHRALDH1A1
SCHEMBL12239007 0.84 CRBN (0.38) MEN1KMT2ACYP2C9TSHRALDH1A1
SCHEMBL12302393 0.83 ACACB (0.33) PLAUMEN1KMT2ACYP2C9HSD17B10
SCHEMBL12238775 0.83 VNN1 (0.35) PLAU

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
US-8039472-B2 Pyrazine-2-carboxamide derivatives to treat diseases mediated by blockade of the epithelial sodium channel NOVARTIS AG (CH) 2011-10-18 US disclosed