SCHEMBL7939211

SCHEMBL7939211

[NH]C(=O)COc1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
MAOB P27338 1/20 0.51
MAPT P10636 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
F2 P00734 1/20 0.49
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
ENPP2 Q13822 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL217722 0.86 LMNA (0.57) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL30023557 0.84 CHRNB2 (0.55) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL27468480 0.84 CHRNB2 (0.55) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL10753064 0.84 CHRNB2 (0.58) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL657597 0.84 CHRNB2 (0.55) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL30601989 0.84 CHRNB2 (0.55) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL15498194 0.82 KMT2A (0.66) KMT2AALDH1A1MEN1POLBMAOB
SCHEMBL1784315 0.82 ALDH1A1 (0.63) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL9911322 0.81 KMT2A (0.63) CHRNB2CHRNA4KMT2AALDH1A1MEN1
SCHEMBL11454145 0.81 KMT2A (0.63) KMT2AALDH1A1MEN1POLBMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001085907-A2 HERBICIDAL OR PLANT GROWTH REGULATORY COMPOSITIONS ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-11-15 WO disclosed
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
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-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
US-4301280-A Preparation of 3-substituted cephalosporins LILLY INDUSTRIES LIMITED (GB) 1981-11-17 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-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