SCHEMBL7345134

SCHEMBL7345134

CC1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TSHR P16473 1/20 0.55
PDK1 Q15118 6/20 0.53
PDK2 Q15119 6/20 0.53
PDK3 Q15120 6/20 0.53
PDK4 Q16654 6/20 0.53
NR3C2 P08235 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
SLC12A2 P55011 1/20 0.52
SLC12A5 Q9H2X9 1/20 0.52
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
DRD4 P21917 1/20 0.48

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
SCHEMBL13776668 0.82 PDK1 (0.61) MEN1KMT2ATSHRPDK1PDK2
SCHEMBL7351015 0.82 MEN1 (0.61) MEN1KMT2ATSHRPDK1PDK2
SCHEMBL13776188 0.80 MEN1 (0.69) MEN1KMT2ATSHRPDK1PDK2
SCHEMBL13776259 0.79 MEN1 (0.58) MEN1KMT2ATSHRPDK1PDK2
SCHEMBL6964138 0.76 L3MBTL1 (0.60) MEN1KMT2ANR3C2L3MBTL1ALDH1A1
SCHEMBL13776257 0.76 KMT2A (0.55) MEN1KMT2ATSHRPDK1PDK2
SCHEMBL7354608 0.76 MEN1 (0.55) MEN1KMT2ATSHRPDK1PDK2
SCHEMBL7356846 0.76 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1LMNA
Lithium Ion SCHEMBL22092468 0.74 TSHR (0.59) MEN1KMT2ATSHRPDK1PDK2
Lithium Ion SCHEMBL30437889 0.74 TSHR (0.59) MEN1KMT2ATSHRPDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed