SCHEMBL8633196

SCHEMBL8633196

O=[N+]([O-])c1ccc(-c2nn[c]o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 2/20 0.49
GSK3B P49841 3/20 0.48
NOTUM Q6P988 1/20 0.47
MMP2 P08253 3/20 0.45
MMP9 P14780 3/20 0.45
MMP8 P22894 3/20 0.45
MMP13 P45452 3/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
XDH P47989 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APP P05067 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL8628357 0.81 NPC1 (0.60) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL9720227 0.76 MAPT (0.70) MAPTALDH1A1GSK3BNOTUMMMP2
SCHEMBL7223282 0.72 NPC1 (0.47) MAPTALDH1A1NOTUMRAB9ANPC1
SCHEMBL344372 0.72 NPC1 (0.46) MAPTALDH1A1NOTUMRAB9ANPC1
SCHEMBL209522 0.72 RAB9A (0.54) MAPTALDH1A1NOTUMRAB9ANPC1
SCHEMBL369276 0.70 NOTUM (0.55) MAPTALDH1A1GSK3BNOTUMMMP2
SCHEMBL26071703 0.70 NPC1 (0.73) MAPTALDH1A1GSK3BMMP2MMP9
SCHEMBL11324245 0.70 L3MBTL1 (0.55) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL28198 0.70 CA1 (0.67) MAPTALDH1A1POLBAPPCA1
SCHEMBL6423919 0.70 CA1 (0.67) MAPTALDH1A1POLBAPPCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495465-A 2-phenyl-5-amino-1,3,4-oxadiazoles and their use as nicotinic acetylcholine receptor ligands GLAXO GROUP LTD (GB) 2009-07-29 CN disclosed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
EP-0215739-B1 SYNTHESIS OF BETA-LACTAM COMPOUNDS CIBA-GEIGY AG (CH) 1993-09-01 EP disclosed
US-5215997-A Synthesis of beta-lactam compounds CIBA-GEIGY CORPORATION (US) 1993-06-01 US disclosed
US-5153315-A Penicilllin deriviatives CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4962196-A (3S, 4R)-3,4-trans-disubstituted azetidin-2-one intermediates CIBA-GEIGY CORPORATION (US) 1990-10-09 US disclosed
US-4952690-A 6-substituted thia-aza compounds CIBA-GEIGY CORPORATION (US) 1990-08-28 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
EP-0003960-A1 6-Substituted thia-aza-compounds, their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-09-19 EP disclosed
US-4115566-A 7α Ureido cephem-4-carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed
US-4067979-A Cephalosporins having an α-acyloxyacetic acid side chain CIBA-GEIGY CORPORATION (US) 1978-01-10 US disclosed
US-4025509-A Aminopyridinium acetyl cephalosporanes CIBA-GEIGY CORPORATION (US) 1977-05-24 US disclosed
US-4024249-A FOR COMBATTING MICROORGANISMS CIBA-GEIGY CORPORATION (US) 1977-05-17 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-4014874-A Process for the manufacture of 3-substituted thiomethyl-7-amino-2-cephem-4-carboxylic acid compound CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed
US-4015000-A 6-Acylamino-penam-3-carboxylic and 7-acylamino-3-cephem-4-carboxylic acids CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed
US-3996208-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1976-12-07 US disclosed
US-3954802-A Substituted-ureido derivatives of penam 3-carboxylic acid and cephem 4-carboxylic acid CIBA-GEIGY CORPORATION (US) 1976-05-04 US disclosed