SCHEMBL8729265

SCHEMBL8729265

CNNc1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
PKM P14618 4/20 0.54
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
MAPT P10636 3/20 0.54
BCHE P06276 1/20 0.54
TRPC3 Q13507 1/20 0.54
TRPC4 Q9UBN4 1/20 0.54
TRPC5 Q9UL62 1/20 0.54
TP53 P04637 3/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HSD17B10 Q99714 2/20 0.50

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
SCHEMBL29502497 0.84 LMNA (0.61) LMNAPKMRAB9ANPC1SMN1; SMN2
SCHEMBL2016737 0.84 LMNA (0.61) LMNAPKMRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL30192728 0.82 PKM (0.61) LMNAPKMRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL27726840 0.82 PKM (0.61) LMNAPKMRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL29117384 0.82 PKM (0.61) LMNAPKMRAB9ANPC1SMN1; SMN2
SCHEMBL28050241 0.79 RAB9A (0.68) LMNAPKMRAB9ANPC1SMN1; SMN2
SCHEMBL28728369 0.78 RAB9A (0.66) LMNAPKMRAB9ANPC1SMN1; SMN2
SCHEMBL1800355 0.76 CYP3A4 (0.61) LMNAPKMRAB9ANPC1SMN1; SMN2
SCHEMBL14380967 0.76 CYP3A4 (0.61) LMNAPKMRAB9ANPC1SMN1; SMN2
SCHEMBL29647608 0.76 CYP3A4 (0.61) LMNAPKMRAB9ANPC1SMN1; SMN2

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-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed