SCHEMBL7658416

SCHEMBL7658416

c1ccc(-n2ncc3c(N4CCNCC4)ncnc32)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.80
NPC1 O15118 5/20 0.80
RAB9A P51151 5/20 0.80
MAPK1 P28482 2/20 0.80
NPSR1 Q6W5P4 1/20 0.80
ALDH1A1 P00352 7/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
HPGD P15428 2/20 0.78
KDM4E B2RXH2 1/20 0.70
SLC2A1 P11166 9/20 0.68
SLC2A3 P11169 9/20 0.68
SLC2A2 P11168 8/20 0.68
LMNA P02545 3/20 0.68
POLB P06746 1/20 0.65
HSD17B10 Q99714 1/20 0.65

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
SCHEMBL21568696 0.88 MAPT (1.00) MAPTNPC1RAB9AMAPK1NPSR1
SCHEMBL29618261 0.88 MAPT (1.00) MAPTNPC1RAB9AMAPK1NPSR1
SCHEMBL2628836 0.82 SLC2A1 (0.77) MAPTNPC1RAB9AMAPK1NPSR1
SCHEMBL2628843 0.82 MAPT (0.80) MAPTNPC1RAB9AMAPK1NPSR1
SCHEMBL6706131 0.81 MAPT (0.71) MAPTNPC1RAB9AMAPK1NPSR1
SCHEMBL13390339 0.78 MAPT (0.67) MAPTNPC1RAB9AMAPK1NPSR1
SCHEMBL24533665 0.78 NPC1 (0.78) MAPTNPC1RAB9AMAPK1NPSR1
SCHEMBL13576575 0.77 ALDH1A1 (0.69) MAPTNPC1RAB9AMAPK1NPSR1
SCHEMBL7655764 0.76 NSD2 (0.75) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL25211644 0.75 MAPT (0.65) MAPTNPC1RAB9AMAPK1NPSR1

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
US-6423716-B1 Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-07-23 US disclosed
EP-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 EP disclosed