SCHEMBL9700761

SCHEMBL9700761

CCOC(OCC)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 5/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PSMD14 O00487 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
S1PR4 O95977 1/20 0.40
VCAM1 P19320 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PDE7A Q13946 1/20 0.38

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
SCHEMBL4573202 0.86 MAPK1 (0.44) TSHRMAPK1MAPTLMNAALDH1A1
SCHEMBL2928829 0.83 MAPK1 (0.53) TSHRMAPK1MAPTLMNAALDH1A1
SCHEMBL4715558 0.78 ALDH1A1 (0.50) TSHRMAPK1MAPTLMNAALDH1A1
SCHEMBL13176425 0.78 MAPK1 (0.47) TSHRMAPK1MAPTLMNAALDH1A1
SCHEMBL10478039 0.78 ALDH1A1 (0.51) TSHRMAPK1MAPTLMNAALDH1A1
SCHEMBL13875029 0.77 MAPK1 (0.58) TSHRMAPK1MAPTLMNAALDH1A1
SCHEMBL316689 0.76 MAPT (0.57) TSHRMAPK1MAPTLMNAALDH1A1
SCHEMBL11490458 0.76 VCAM1 (0.42) TSHRMAPK1MAPTLMNAALDH1A1
SCHEMBL10648437 0.75 MEN1 (0.42) TSHRMAPK1MAPTLMNAALDH1A1
SCHEMBL31198103 0.75 MEN1 (0.45) TSHRMAPK1MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171851-A Cardiac stimulant DONG-A PHARM. CO., LTD. (KR) 1992-12-15 US disclosed
EP-0510235-A1 Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same DONG-A PHARM. CO., LTD. (KR) 1992-10-28 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed