SCHEMBL11500271

SCHEMBL11500271

N=Nc1ccc(NC(N)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.57
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
GFER P55789 1/20 0.52
KIF11 P52732 6/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TMPRSS6 Q8IU80 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL9921321 0.83 PEPD (0.61) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL5062623 0.82 PEPD (0.80) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL1105876 0.81 PEPD (0.59) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL19255611 0.79 MAPT (0.61) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL28287706 0.76 MAPT (0.68) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL8379303 0.76 PEPD (0.64) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL11760586 0.76 PEPD (0.64) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL66432 0.75 L3MBTL1 (0.70) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL13784966 0.75 PEPD (0.52) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL4572230 0.75 P2RY6 (0.53) PEPDALDH1A1NPC1GAAMAPT

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-4231799-A MONOAZO DYES, MULTILAYER, CHARGE TRANSPORTING COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-04 US disclosed