SCHEMBL4034451

SCHEMBL4034451

CC(C)C(c1nc(-c2ccc3c(c2)Nc2ccccc2S3)cs1)N(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 8/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 2/20 0.41
CYBB P04839 1/20 0.41
APP P05067 1/20 0.41
SNCA P37840 1/20 0.41
NOX3 Q9HBY0 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
MARK4 Q96L34 9/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1926397 0.87 NOX1 (0.37) NOX1MAPTGAAMEN1KMT2A
SCHEMBL1927571 0.87 NOX1 (0.36) NOX1MAPTGAAMEN1KMT2A
SCHEMBL4033771 0.82 GRM1 (0.46) NOX1MAPTGAAMEN1KMT2A
SCHEMBL4934512 0.82 NOX1 (0.41) NOX1MAPTGAAMEN1KMT2A
SCHEMBL1926715 0.81 NOX1 (0.43) NOX1MAPTGAAMEN1KMT2A
SCHEMBL1928027 0.79 NOX1 (0.44) NOX1MAPTGAAMEN1KMT2A
SCHEMBL1929067 0.78 NOX1 (0.43) NOX1MAPTGAAMEN1KMT2A
SCHEMBL1926490 0.78 NOX1 (0.43) NOX1MAPTGAAMEN1KMT2A
SCHEMBL1926935 0.78 NOX1 (0.43) NOX1MAPTGAAMEN1KMT2A
SCHEMBL1927695 0.77 NOX1 (0.44) NOX1MAPTGAAMEN1KMT2A

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-1675836-B1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY IPSEN PHARMA (FR) 2016-04-13 EP disclosed
EP-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 EP disclosed