SCHEMBL10667693

SCHEMBL10667693

COc1ccc(-c2nn3c(SC)nnc3c3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.70
TP53 P04637 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
RXFP1 Q9HBX9 2/20 0.51
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 1/20 0.49
POLB P06746 1/20 0.46
GABRA1 P14867 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
MEN1 O00255 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
SCHEMBL10666106 0.86 TSHR (0.66) MAPTTP53SMN1; SMN2NPC1LMNA
SCHEMBL10876854 0.82 MAPT (0.74) MAPTTP53SMN1; SMN2NPSR1NPC1
SCHEMBL2886423 0.81 MAPT (1.00) MAPTTP53SMN1; SMN2NPSR1NPC1
SCHEMBL10668699 0.78 MAPT (0.67) MAPTTP53SMN1; SMN2NPSR1NPC1
SCHEMBL10667698 0.78 MAPT (0.67) MAPTTP53SMN1; SMN2NPSR1NPC1
SCHEMBL13996077 0.69 NPSR1 (0.66) MAPTTP53SMN1; SMN2NPSR1NPC1
SCHEMBL496814 0.68 MAPT (0.76) MAPTTP53SMN1; SMN2NPSR1NPC1
SCHEMBL10664153 0.68 MAPT (0.76) MAPTTP53SMN1; SMN2NPSR1NPC1
SCHEMBL30719611 0.67 KDM4E (0.72) MAPTTP53SMN1; SMN2NPSR1LMNA
SCHEMBL8864708 0.67 KDM4E (0.72) MAPTTP53SMN1; SMN2NPSR1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4788186-A ANXIOLYTIC AGENTS GRUPPO LEPETIT S.P.A. (IT) 1988-11-29 US disclosed
EP-0085840-B1 NEW 6-SUBSTITUTED-S-TRIAZOLO(3,4-A)PHTHALAZINE DERIVATIVES GRUPPO LEPETIT S.P.A. (IT) 1986-10-01 EP disclosed
EP-0085840-A1 New 6-substituted-s-triazolo(3,4-a)phthalazine derivatives GRUPPO LEPETIT S.P.A. (IT) 1983-08-17 EP disclosed