SCHEMBL10967103

SCHEMBL10967103

[NH]C(=O)C(NC(=O)OCc1ccc([N+](=O)[O-])cc1)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
TGM2 P21980 1/20 0.43
CTSL P07711 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 2/20 0.40
HTR2A P28223 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK8 P45983 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL10639986 0.91 RAB9A (0.51) RAB9ATGM2CTSLMAPTL3MBTL1
SCHEMBL10967107 0.90 RAB9A (0.50) RAB9ATGM2CTSLMAPTL3MBTL1
SCHEMBL10663207 0.85 RAB9A (0.52) RAB9ATGM2CTSLHTTHTR2A
SCHEMBL10967446 0.83 ATM (0.54) RAB9ATGM2CTSLMAPTHTT
SCHEMBL11097959 0.81 RAB9A (0.55) RAB9AMAPTL3MBTL1HTTHTR2A
SCHEMBL11097963 0.77 RAB9A (0.55) RAB9AMAPTL3MBTL1HTTHTR2A
SCHEMBL11475132 0.76 ATM (0.53) CTSLHDAC1HDAC2LMNA
SCHEMBL11066063 0.75 ATM (0.66) RAB9ATGM2CTSLMAPTHTT
SCHEMBL11514580 0.75 ATM (0.66) RAB9ATGM2CTSLMAPTHTT
SCHEMBL11623831 0.74 ATM (0.52) RAB9ATGM2CTSLMAPTHTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0019401-B1 PROCESS FOR PREPARING ENAMINE DERIVATIVES, COMPOUNDS SO PRODUCED AND PROCESS FOR PREPARING A 3-HYDROXY-CEPHALOSPORIN Lilly Industries Limited (GB) 1984-03-21 EP disclosed
EP-0014567-B1 PROCESSES FOR PREPARATION OF BETA-LACTAM COMPOUNDS ELI LILLY AND COMPANY (US) 1984-01-18 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
US-4301280-A Preparation of 3-substituted cephalosporins LILLY INDUSTRIES LIMITED (GB) 1981-11-17 US disclosed
US-4271305-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-06-02 US disclosed
EP-0019401-A1 Process for preparing enamine derivatives, compounds so produced and process for preparing a 3-hydroxy-cephalosporin Lilly Industries Limited (GB) 1980-11-26 EP disclosed
US-4223133-A USING A TRIARYL PHOSPHITE-HALOGEN COMPLEX ELI LILLY AND COMPANY (US) 1980-09-16 US disclosed
EP-0014567-A1 Processes for preparation of beta-lactam compounds ELI LILLY AND COMPANY (US) 1980-08-20 EP disclosed
US-4211702-A TRIARYLPHOSPHITE-HALOGEN COMPLEX HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1980-07-08 US disclosed
US-4176231-A Process for preparing 3-exomethylenecepham sulfoxides LILLY INDUSTRIES LIMITED (GB) 1979-11-27 US disclosed
US-4159266-A AZETIDINONE SULFINIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1979-06-26 US disclosed
US-4052387-A METHOD OF PREPARATION OF 3-METHYLENECEPHAMS ELI LILLY AND COMPANY (US) 1977-10-04 US disclosed
US-4048163-A Process for preparation of 7-alkoxy-3-chloromethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4048160-A Process for preparation of 7-alkoxy-3-bromomethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4042585-A Process for preparation of 3-halomethylcephems ELI LILLY AND COMPANY (US) 1977-08-16 US disclosed
US-4038275-A PROCESS FOR PREPARATION OF 3-HYDROXYMETHYLCEPHEMS ELI LILLY AND COMPANY (US) 1977-07-26 US disclosed