SCHEMBL7877955

SCHEMBL7877955

Cc1cccc([N+](=O)[O-])c1CC(=O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GPR35 Q9HC97 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNMA1 Q12791 1/20 0.42
FBP1 P09467 1/20 0.42
POLB P06746 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
SCHEMBL16397415 0.90 TDP1 (0.60) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL4408694 0.90 TDP1 (0.60) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL31377046 0.84 TDP1 (0.53) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL31016532 0.83 L3MBTL1 (0.49) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL7690997 0.82 ERCC5 (0.48) TDP1L3MBTL1SMN1; SMN2HSD17B10MEN1
SCHEMBL13930332 0.82 L3MBTL1 (0.48) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL31016530 0.82 L3MBTL1 (0.48) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL11744967 0.81 TSHR (0.43) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL11740927 0.81 TSHR (0.45) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL16585312 0.81 AKR1B1 (0.53) TDP1L3MBTL1TSHRSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-6117885-A Biphenyl-substituted quinoline derivatives E. R. SQUIBB & SONS, INC. (US) 2000-09-12 US disclosed
CN-1051301-C Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 2000-04-12 CN disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
US-5616591-A Indole- and benzimidazole-substituted quinoline derivatives E.R. SQUIBB & SONS, INC. (US) 1997-04-01 US disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 CN disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed
EP-0556060-A1 Biphenyl-substituted quinoline and naphthyridines derivatives as angiotensine II antagonists E.R. SQUIBB & SONS, INC. (US) 1993-08-18 EP disclosed