SCHEMBL2940774

SCHEMBL2940774

[N-]=[N+]=C(C(=O)O)C(=O)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 2/20 0.42
KCNJ1 P48048 1/20 0.42
CNR1 P21554 1/20 0.41
FFAR1 O14842 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10690540 0.92 KMT2A (0.48) MEN1KMT2ATSHRCYP2C19CYP1A2
SCHEMBL5968140 0.82 KMT2A (0.36) MEN1KMT2ATSHRSMN1; SMN2NPC1
SCHEMBL26657 0.81 PLAAT5 (0.53) SMN1; SMN2MAPTALDH1A1FFAR1TDP1
SCHEMBL5968137 0.79 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL350869 0.77 TSHR (0.63) MEN1KMT2ATSHRCYP2C19CYP1A2
SCHEMBL8749106 0.76 ALDH1A1 (0.46) ALDH1A1L3MBTL1FFAR1TDP1
SCHEMBL7999122 0.76 TSHR (0.66) MEN1KMT2ATSHRCYP2C19CYP1A2
SCHEMBL1628272 0.75 TSHR (0.56) MEN1KMT2ATSHRCYP2C19CYP1A2
SCHEMBL8748832 0.74 KEAP1 (0.55) SMN1; SMN2MAPTALDH1A1FFAR1TDP1
SCHEMBL15074911 0.73 TSHR (0.61) MEN1KMT2ATSHRCYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339582-A1 Atypical Carbapenem Antibiotics with Improved Activity Against Carbapenemase-Producing Acinetobacter baumannii BUYNAK JOHN (US) 2020-10-29 US disclosed
EP-1670806-B9 PROCESS FOR PREPARATION OF ESTERS OF 2-DIAZO-3-TRIMETHYLSILYLOXY-3-BUTENOIC ACID RANBAXY LAB LTD (IN) 2010-06-02 EP disclosed
EP-1670806-B1 PROCESS FOR PREPARATION OF ESTERS OF 2-DIAZO-3-TRIMETHYLSILYLOXY-3-BUTENOIC ACID RANBAXY LAB LTD (IN) 2010-01-06 EP disclosed
US-5340927-A Process for the preparation of 2-diazo-3-trisubstituted silyloxy 3-butenoates MERCK & CO., INC. (US) 1994-08-23 US disclosed
EP-0409331-A2 A novel process for the preparation of 2-diazo-3-trisubstituted silyloxy-3-butenoates MERCK & CO. INC. (US) 1991-01-23 EP disclosed
EP-0247431-B1 SUBSTITUTED 6-HYDROXYMETHYLCARBAPENEM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1990-08-01 EP disclosed
US-4841042-A Process for the preparation of carbapenem intermediates BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0247431-A1 Substituted 6-hydroxymethylcarbapenem antibiotics, process for their preparation and their use BAYER AG (DE) 1987-12-02 EP disclosed
EP-0195963-A1 Process for the preparation of carbapenem intermediates BAYER AG (DE) 1986-10-01 EP disclosed