SCHEMBL11272029

SCHEMBL11272029

O=CNN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C(C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
CCR5 P51681 1/20 0.40
TGM2 P21980 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL11271277 1.00 RAB9A (0.43) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11275778 0.82 RAB9A (0.51) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11271206 0.77 RAB9A (0.46) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL9350698 0.73 RAB9A (0.56) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11114097 0.73 RAB9A (0.42) RAB9AMAPTHTTNPC1ALDH1A1
SCHEMBL10885468 0.72 RAB9A (0.59) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL9877393 0.71 RAB9A (0.49) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11066063 0.71 ATM (0.66) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11514580 0.71 ATM (0.66) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL6559779 0.70 RAB9A (0.56) RAB9AMAPTHTTNPSR1NPC1

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
US-4329285-A REACTING WITH ACETOFORMIC ANHYDRIDE C R A F SUD (IT) 1982-05-11 US disclosed