SCHEMBL6414795

SCHEMBL6414795

N=Nc1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.48
NPC1 O15118 11/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
PSMB8 P28062 1/20 0.46
HPGD P15428 3/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 1/20 0.44
TNF P01375 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.43
PKM P14618 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HCRTR1 O43613 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL1233047 0.83 RAB9A (0.52) RAB9ANPC1MAPTSMN1; SMN2PSMB8
SCHEMBL31314989 0.83 RAB9A (0.52) RAB9ANPC1MAPTSMN1; SMN2PSMB8
SCHEMBL8491156 0.78 RAB9A (0.49) RAB9ANPC1MAPTSMN1; SMN2PSMB8
SCHEMBL3071072 0.75 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2PSMB8
SCHEMBL11236137 0.75 RAB9A (0.58) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL559230 0.75 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL1991644 0.75 PSMB8 (0.46) RAB9ANPC1MAPTSMN1; SMN2PSMB8
SCHEMBL3071075 0.75 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2PSMB8
SCHEMBL10533369 0.75 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2PSMB8
SCHEMBL29531707 0.72 NPC1 (0.69) RAB9ANPC1MAPTSMN1; SMN2PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286987-B1 HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS AUSTRIA WIRTSCHAFTSSERV GMBH (AT) 2005-09-28 EP disclosed