SCHEMBL16703602

SCHEMBL16703602

N=C(N)c1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
DPYD Q12882 5/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
ATAD2 Q6PL18 1/20 0.43
CYP19A1 P11511 1/20 0.43
TSHR P16473 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
HTT P42858 1/20 0.43
HBB P68871 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM3B Q7LBC6 1/20 0.37
KDM4C Q9H3R0 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
SCHEMBL1210894 0.81 GAA (0.50) GAADPYDLMNAMAPTALDH1A1
SCHEMBL6601546 0.76 GAA (0.45) GAADPYDLMNAMAPTALDH1A1
SCHEMBL4394659 0.76 GAA (0.45) GAADPYDLMNAMAPTALDH1A1
SCHEMBL127493 0.74 KDM3B (0.64) GAADPYDLMNAMAPTALDH1A1
SCHEMBL6524027 0.72 GAA (0.50) GAADPYDLMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL11439523 0.72 KDM3B (0.62) GAADPYDLMNAMAPTALDH1A1
SCHEMBL190958 0.72 GAA (0.50) GAADPYDLMNAMAPTALDH1A1
Water SCHEMBL4487821 0.72 KDM3B (0.62) GAADPYDLMNAMAPTALDH1A1
SCHEMBL65890 0.71 GAA (0.48) GAADPYDLMNAMAPTALDH1A1
SCHEMBL933035 0.71 DPYD (0.48) GAADPYDLMNAMAPTALDH1A1

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-3066096-A1 SUBSTITUTED URACILS AS CHYMASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2015067651-A1 SUBSTITUTED URACILS AS CHYMASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO disclosed