SCHEMBL11271206

SCHEMBL11271206

O=CN(N[C@@H](C(=O)O)c1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 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 1/20 0.41
CCR5 P51681 1/20 0.40
TGM2 P21980 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 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
SCHEMBL11066063 0.78 ATM (0.66) RAB9AMAPTHTTNPSR1ATM
SCHEMBL11514580 0.78 ATM (0.66) RAB9AMAPTHTTNPSR1ATM
SCHEMBL11272029 0.77 RAB9A (0.43) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11271277 0.77 RAB9A (0.43) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11275778 0.75 RAB9A (0.51) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL10967450 0.74 ATM (0.57) RAB9AMAPTHTTNPSR1ATM
SCHEMBL9350698 0.73 RAB9A (0.56) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11293241 0.72 ATM (0.54) RAB9AMAPTHTTNPSR1ATM
SCHEMBL10967446 0.72 ATM (0.54) RAB9AMAPTHTTNPSR1ATM
SCHEMBL10885468 0.72 RAB9A (0.59) 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