SCHEMBL10456830

SCHEMBL10456830

CC(=NO)c1ccc(NC(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.52
KIF11 P52732 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 1/20 0.50
FURIN P09958 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
GLA P06280 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL10456829 1.00 PEPD (0.52) PEPDKIF11ALDH1A1NPC1FURIN
SCHEMBL6358704 0.80 MAPT (0.60) PEPDKIF11ALDH1A1NPC1GAA
SCHEMBL24166928 0.80 ALDH1A1 (0.56) ALDH1A1MEN1KMT2A
SCHEMBL31054222 0.79 NPC1 (0.69) ALDH1A1NPC1MAPTMEN1KMT2A
SCHEMBL5062623 0.77 PEPD (0.80) PEPDKIF11ALDH1A1NPC1GAA
SCHEMBL11925383 0.76 SMN1; SMN2 (0.67) PEPDKIF11ALDH1A1NPC1GAA
SCHEMBL14047972 0.76 PEPD (0.64) PEPDKIF11ALDH1A1NPC1GAA
SCHEMBL13811585 0.75 HDAC3 (0.67) NPC1MAPTLMNAMEN1KMT2A
SCHEMBL12360950 0.74 CA9 (0.52) ALDH1A1NPC1FURINMAPTGFER
SCHEMBL14298196 0.74 CA9 (0.52) ALDH1A1NPC1FURINMAPTGFER

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-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US disclosed
US-4868061-A ADDITION POLYMERS, ULTRAVIOLET RADIATION STABILIZERS THE STANDARD OIL COMPANY (US) 1989-09-19 US disclosed