SCHEMBL7877962

SCHEMBL7877962

CC(=O)C(=O)Oc1c(C)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GPR35 Q9HC97 1/20 0.42
KCNMA1 Q12791 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 1/20 0.39
HSPB1 P04792 1/20 0.39

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
SCHEMBL27542157 0.87 TDP1 (0.54) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL9035097 0.85 TSHR (0.55) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL28611098 0.83 TDP1 (0.53) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL27796727 0.81 TDP1 (0.51) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL7690998 0.81 ALDH1A1 (0.52) L3MBTL1TSHRSMN1; SMN2HSD17B10KMT2A
SCHEMBL27850556 0.79 TDP1 (0.49) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL10432681 0.77 TDP1 (0.50) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL10422347 0.76 TSHR (0.60) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL4564308 0.76 TSHR (0.60) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL258556 0.76 ALDH1A1 (0.58) TDP1L3MBTL1SMN1; SMN2KMT2AMEN1

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
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
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
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