SCHEMBL7642007

SCHEMBL7642007

CC(=O)Nc1nc(-c2ncc(NCCO)s2)cs1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 5/20 0.57
ABL1 P00519 5/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
PIK3CG P48736 4/20 0.45
NPC1 O15118 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
TYR P14679 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 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
SCHEMBL7647552 0.93 PI4KB (0.49) PI4KBABL1KDM4ELMNAPOLB
SCHEMBL5482981 0.77 CCNK (0.48) PI4KBLMNANPC1SMN1; SMN2KMT2A
SCHEMBL4528106 0.72 PI4KB (1.00) PI4KBKDM4EPOLBPIK3CGHSD17B10
SCHEMBL5487537 0.71 CCNK (0.46) PI4KBLMNANPC1SMN1; SMN2KMT2A
SCHEMBL13035831 0.68 KMT2A (0.59) ABL1KDM4ELMNAPOLBNPC1
SCHEMBL29763634 0.66 ABL1 (0.59) ABL1KDM4ELMNAPOLBNPC1
SCHEMBL10619222 0.66 ABL1 (0.65) PI4KBABL1KDM4ELMNAPOLB
SCHEMBL4507830 0.66 PI4KB (0.87) PI4KBKDM4EPOLBPIK3CGHSD17B10
SCHEMBL9835060 0.66 SMN1; SMN2 (0.65) LMNANPC1SMN1; SMN2KMT2ARAB9A
SCHEMBL21495120 0.65 ABL1 (0.55) ABL1KDM4ELMNAPOLBNPC1

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-1204649-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-15 EP disclosed
WO-2001014353-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA, S.P.A. (IT) 2001-03-01 WO disclosed