SCHEMBL8311313

SCHEMBL8311313

Nc1ccc(O)c(O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
THRB P10828 1/20 0.55
MAPK1 P28482 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR35 Q9HC97 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 3/20 0.42
S100A4 P26447 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL27851139 0.85 GAA (0.57) GAATHRBMAPK1ALOX15HSD17B10
SCHEMBL29652066 0.82 GPR35 (0.54) GAATHRBMAPK1ALOX15HSD17B10
SCHEMBL16210823 0.80 GAA (0.52) GAATHRBMAPK1ALOX15HSD17B10
SCHEMBL8749133 0.80 ALDH1A1 (0.44) GAATHRBMAPK1HSD17B10GPR35
SCHEMBL2371812 0.80 TSHR (0.52) GAATHRBHSD17B10GPR35MEN1
SCHEMBL27832802 0.79 MEN1 (0.53) GAATHRBALOX15MEN1KMT2A
SCHEMBL31634614 0.79 GAA (0.55) GAATHRBMAPK1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL11088603 0.79 ALDH1A1 (0.43) GAATHRBMAPK1HSD17B10GPR35
SCHEMBL15962080 0.77 TDP1 (0.57) GAATHRBALOX15GPR35MEN1
SCHEMBL70085 0.77 GPR35 (0.59) MAPK1ALOX15HSD17B10L3MBTL1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4246052-A REDUCED AND DIAZOTIZED TO FORM THE IGNITING AGENTS FOR PRIMERS AND EXPLOSIVES BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US claimed
CN-1159303-C Preparation of intermediate for monocyclic beta-lactams derivatives ER 2004-07-28 CN disclosed
CN-1067053-C A process for preparing the intermediate of the derivatives of monocycle beta-lactam antibiotics SQUIBB & SONS INC (US) 2001-06-13 CN disclosed
CN-1251836-A Preparation of intermediate for monocyclic beta-lactams derivatives SQUIBB & SONS INC (US) 2000-05-03 CN disclosed
EP-0484881-B1 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics SQUIBB & SONS INC (US) 1999-04-07 EP disclosed
US-5705645-A Hereroaryl derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1998-01-06 US disclosed
CN-1031825-C Process for the preparation of heteroaroyl derivatives of monocyclic beta-lactam antibiotics SQUIBB & SONS INC (US) 1996-05-22 CN disclosed
CN-1113228-A A process for preparing the intermediate of the derivatives of monocycle beta-lactam antibiotics SQUIBB & SONS INC (US) 1995-12-13 CN disclosed
US-5420277-A BACTERICIDE INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1995-05-30 US disclosed
US-5290929-A Heteroaryl derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1994-03-01 US disclosed
CN-1061414-A HETEROAROYL DERIVATIVES OF MONOCYCLIC BETA-LACTAM ANTIBIOTICS SQUIBB & SONS INC (US) 1992-05-27 CN disclosed
EP-0484881-A2 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1992-05-13 EP disclosed
US-4246052-A REDUCED AND DIAZOTIZED TO FORM THE IGNITING AGENTS FOR PRIMERS AND EXPLOSIVES BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed
US-4246052-A REDUCED AND DIAZOTIZED TO FORM THE IGNITING AGENTS FOR PRIMERS AND EXPLOSIVES BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed