SCHEMBL7554347

SCHEMBL7554347

COc1ccc(NC2=CC(=O)SC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
RAB9A P51151 6/20 0.50
NPC1 O15118 4/20 0.50
GAA P10253 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 7/20 0.44
ALOX12 P18054 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7560746 0.81 KDM4E (0.46) MAPTRAB9ANPC1GAAKDM4E
SCHEMBL16784518 0.72 MEN1 (0.73) MAPTRAB9ANPC1GAAKDM4E
SCHEMBL7517550 0.71 MAPT (0.50) MAPTRAB9ANPC1GAAKDM4E
SCHEMBL39057 0.70 MAPT (1.00) MAPTRAB9ANPC1GAAKDM4E
SCHEMBL1459772 0.70 MAPT (1.00) MAPTRAB9ANPC1GAAKDM4E
SCHEMBL486240 0.69 RECQL (0.74) MAPTGAAKDM4EL3MBTL1RECQL
SCHEMBL19409875 0.68 MAPT (0.61) MAPTRAB9ANPC1GAAKDM4E
SCHEMBL11056727 0.65 MAPT (0.55) MAPTRAB9ANPC1GAAKDM4E
SCHEMBL1921511 0.64 MAPT (0.85) MAPTRAB9ANPC1GAAKDM4E
SCHEMBL12648780 0.64 MAPT (0.85) MAPTRAB9ANPC1GAAKDM4E

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-1173420-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2002-01-23 EP disclosed
WO-2000053581-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2000-09-14 WO disclosed