SCHEMBL10667698

SCHEMBL10667698

COc1ccc(-c2nn3c(N4CCCC4)nnc3c3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
TP53 P04637 3/20 0.65
NPSR1 Q6W5P4 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
PKM P14618 1/20 0.60
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55
RXFP1 Q9HBX9 2/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
CECR2 Q9BXF3 1/20 0.47
BRD9 Q9H8M2 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL10666220 0.86 TSHR (0.60) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL10876854 0.80 MAPT (0.74) MAPTTP53NPSR1SMN1; SMN2MEN1
SCHEMBL2886423 0.79 MAPT (1.00) MAPTTP53NPSR1SMN1; SMN2NPC1
SCHEMBL10667693 0.78 MAPT (0.70) MAPTTP53NPSR1SMN1; SMN2MEN1
SCHEMBL10668699 0.76 MAPT (0.67) MAPTTP53NPSR1SMN1; SMN2MEN1
SCHEMBL10664826 0.73 MAPK1 (0.45) MAPTTP53NPSR1SMN1; SMN2KMT2A
SCHEMBL10685547 0.70 MAPT (0.63) MAPTTP53NPSR1SMN1; SMN2NPC1
SCHEMBL2882728 0.69 HRH3 (0.65) TSHRMAPK1HSD17B10
SCHEMBL13996077 0.67 NPSR1 (0.66) MAPTTP53NPSR1SMN1; SMN2MEN1
SCHEMBL496814 0.67 MAPT (0.76) MAPTTP53NPSR1SMN1; SMN2NPC1

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