SCHEMBL10967446

SCHEMBL10967446

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
CTSL P07711 5/20 0.53
CTSS P25774 1/20 0.53
TGM2 P21980 1/20 0.48
RAB9A P51151 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL11514580 0.90 ATM (0.66) ATMCTSLCTSSTGM2RAB9A
SCHEMBL11066063 0.90 ATM (0.66) ATMCTSLCTSSTGM2RAB9A
SCHEMBL10967450 0.88 ATM (0.57) ATMCTSLCTSSTGM2RAB9A
SCHEMBL11293241 0.88 ATM (0.54) ATMCTSLCTSSTGM2RAB9A
SCHEMBL11075199 0.86 CTSL (0.67) ATMCTSLCTSS
SCHEMBL6770591 0.83 CTSL (0.51) ATMCTSLTGM2RAB9AHDAC1
SCHEMBL10967103 0.83 RAB9A (0.51) CTSLTGM2RAB9AHDAC1HDAC2
SCHEMBL6397737 0.82 TGM2 (0.48) ATMCTSLTGM2RAB9AHDAC1
SCHEMBL11515068 0.81 TGM2 (0.48) ATMCTSLCTSSTGM2RAB9A
SCHEMBL6398101 0.81 ALDH1A1 (0.53) CTSLTGM2RAB9AHDAC1HDAC2

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-0060120-B1 PROCESS FOR PREPARING 4-HALOAZETIDIN-2-ONES ELI LILLY AND COMPANY (US) 1984-12-19 EP 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-0060119-A1 Azetidinone compounds and their preparation ELI LILLY AND COMPANY (US) 1982-09-15 EP disclosed
EP-0060120-A1 Process for preparing 4-haloazetidin-2-ones 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
US-4226986-A 7-ACYLAMINO-3-HYDROXY-3-CEPHEM COMPOUND, TRIARYL PHOSPHITE DIHALIDE ELI LILLY AND COMPANY (US) 1980-10-07 US 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-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed
US-4052387-A METHOD OF PREPARATION OF 3-METHYLENECEPHAMS ELI LILLY AND COMPANY (US) 1977-10-04 US disclosed
US-4048160-A Process for preparation of 7-alkoxy-3-bromomethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4048163-A Process for preparation of 7-alkoxy-3-chloromethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed