SCHEMBL7081595

SCHEMBL7081595

N#CNN(NC#N)C(=O)S.O=C(S)N(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MEN1 O00255 2/20 0.32
APAF1 O14727 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3068205 0.80 NPSR1 (0.64) NPSR1ALDH1A1KMT2ANPC1POLB
SCHEMBL3080686 0.78
SCHEMBL7081597 0.72 ALDH1A1 (0.42) NPSR1USP2HSD17B10ALDH1A1KMT2A
SCHEMBL3625491 0.71 NPSR1 (0.52) NPSR1ALDH1A1KMT2ANPC1POLB
SCHEMBL4878105 0.69 NPSR1 (0.50) NPSR1USP2HSD17B10ALDH1A1KMT2A
SCHEMBL5932654 0.69 TRPM8 (0.53) NPSR1ALDH1A1KMT2ANPC1POLB
SCHEMBL29158119 0.67 TDP1 (0.40) NPSR1USP2HSD17B10ALDH1A1KMT2A
SCHEMBL11862805 0.66 NPSR1 (0.56) NPSR1USP2HSD17B10ALDH1A1KMT2A
SCHEMBL17438744 0.64 HSD17B10 (0.63) USP2HSD17B10ALDH1A1KMT2APOLB
SCHEMBL11325296 0.64 NPSR1 (0.58) NPSR1ALDH1A1KMT2ANPC1POLB

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
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed