SCHEMBL7764042

SCHEMBL7764042

c1ccc2c(c1)nc(-c1cscn1)n2-c1nccs1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.58
METAP1 P53582 1/20 0.58
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
BRD4 O60885 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL10981062 0.76 MAPK1 (0.54) KDM4EHSD17B10NPSR1MAPTMAPK1
SCHEMBL9622169 0.74 METAP2 (0.68) METAP2METAP1KDM4EHSD17B10NPSR1
SCHEMBL6233509 0.74 METAP2 (1.00) METAP2METAP1KDM4EHSD17B10NPSR1
SCHEMBL11097221 0.74 CSNK1A1 (0.61) KDM4ENPSR1MEN1KMT2AALDH1A1
SCHEMBL9622853 0.74 METAP2 (0.68) METAP2METAP1KDM4EHSD17B10NPSR1
SCHEMBL20647667 0.72 METAP2 (0.54) METAP2METAP1KDM4EHSD17B10NPSR1
SCHEMBL2607725 0.70 METAP2 (0.68) METAP2METAP1KDM4EHSD17B10NPSR1
SCHEMBL229709 0.70 KDM4E (0.68) METAP2METAP1KDM4EHSD17B10NPSR1
SCHEMBL17681622 0.70 METAP1 (0.52) METAP2METAP1KDM4EHSD17B10NPSR1
SCHEMBL17681607 0.69 METAP1 (0.50) METAP2METAP1KDM4EHSD17B10NPSR1

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-1100550-A1 METHOD FOR THE MANUFACTURE OF ANTIMICROBIAL ARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-05-23 EP disclosed
WO-2000006210-A1 METHOD FOR THE MANUFACTURE OF ANTIMICROBIAL ARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-02-10 WO disclosed