SCHEMBL10885461

SCHEMBL10885461

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.46
HTR2A P28223 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
IDO1 P14902 1/20 0.44
AKR1C3 P42330 1/20 0.43
ATM Q13315 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
SCHEMBL9350698 0.89 RAB9A (0.56) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL10885468 0.88 RAB9A (0.59) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11520946 0.88 RAB9A (0.44) RAB9AMAPTHTTNPSR1HTR2A
SCHEMBL11525587 0.87 ALDH1A1 (0.52) RAB9AHTTNPC1HTR2AL3MBTL1
SCHEMBL10493299 0.87 RAB9A (0.54) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL10968189 0.84 ALDH1A1 (0.50) TDP1L3MBTL1
SCHEMBL12289156 0.82 RAB9A (0.51) RAB9AHTTNPC1HTR2ATDP1
SCHEMBL6559779 0.81 RAB9A (0.56) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL6772418 0.81 RAB9A (0.53) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11097959 0.81 RAB9A (0.55) RAB9AMAPTHTTHTR2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP claimed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP claimed
EP-0060119-B1 AZETIDINONE COMPOUNDS AND THEIR PREPARATION ELI LILLY AND COMPANY (US) 1985-04-10 EP disclosed
US-4500456-A AND AZETIDINONE-4-SULFINIC ACID, OR SALT THEREOF ELI LILLY AND COMPANY (US) 1985-02-19 US disclosed
EP-0060120-B1 PROCESS FOR PREPARING 4-HALOAZETIDIN-2-ONES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4368156-A USING POSITIVE HALOGEN REAGENT ELI LILLY AND COMPANY (US) 1983-01-11 US disclosed
EP-0060120-A1 Process for preparing 4-haloazetidin-2-ones ELI LILLY AND COMPANY (US) 1982-09-15 EP disclosed
EP-0060119-A1 Azetidinone compounds and their preparation ELI LILLY AND COMPANY (US) 1982-09-15 EP disclosed