SCHEMBL19254327

SCHEMBL19254327

Cc1cccc(C(=O)NCCN=[N+]=[N-])c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ATM Q13315 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
POLB P06746 3/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNH2 Q12809 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 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
SCHEMBL24386362 0.84 NPC1 (0.62) RAB9ANPC1MEN1KMT2AHDAC8
SCHEMBL22400147 0.82 TP53BP1 (0.58) RAB9ANPC1MEN1KMT2AATM
SCHEMBL1753828 0.79 L3MBTL1 (0.71) RAB9ANPC1MEN1KMT2AHDAC8
SCHEMBL9492626 0.79 NPC1 (0.68) RAB9ANPC1MEN1KMT2AHDAC8
SCHEMBL842631 0.79 NPC1 (0.68) RAB9ANPC1MEN1KMT2AHDAC8
SCHEMBL12678025 0.77 NPC1 (0.66) RAB9ANPC1MEN1KMT2AHDAC8
SCHEMBL14538231 0.77 NPC1 (0.66) RAB9ANPC1MEN1KMT2AHDAC8
SCHEMBL11234425 0.77 RAB9A (0.66) RAB9ANPC1MEN1KMT2AHDAC8
SCHEMBL13655554 0.77 HDAC1 (0.57) RAB9ANPC1HDAC8HDAC6
SCHEMBL12867 0.76 NPC1 (0.64) RAB9ANPC1MEN1KMT2AHDAC8

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
WO-2017136689-A1 PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY ACADEMIA SINICA (TW) 2017-08-10 WO disclosed