SCHEMBL7832804

SCHEMBL7832804

O=C1N(c2ccc([N+](=O)[O-])cc2)CCN1c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
DRD2 P14416 2/20 0.48
DRD3 P35462 1/20 0.48
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.45
CYP11B2 P19099 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
SCN9A Q15858 1/20 0.43
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP11B1 P15538 2/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 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
SCHEMBL31011685 0.83 MAPT (0.56) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL2233973 0.81 POLB (0.58) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7837571 0.81 HDAC1 (0.64) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL7835172 0.80 HDAC1 (0.63) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL7835211 0.80 HDAC1 (0.63) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL27337917 0.77 ALDH1A1 (0.47) ALDH1A1RAB9ACYP11B2MEN1KMT2A
SCHEMBL7838797 0.76 HDAC1 (0.62) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL3787527 0.73 CYP17A1 (0.62) HDAC1ROCK2ROCK1DRD2DRD3
SCHEMBL5362388 0.73 SIRT6 (0.54) ALDH1A1RAB9ANPC1CTSGCMA1
SCHEMBL27774657 0.73 DRD2 (0.58) HDAC1ROCK2ROCK1DRD2DRD3

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
EP-0719773-B1 IMIDAZOLIDINONE DERIVATIVE, ACID-ADDITION SALT THEREOF, AND REMEDY FOR SENILE DEMENTIA KYORIN SEIYAKU KK (JP) 2001-11-21 EP disclosed
US-5789425-A Imidazolidinone derivatives, their acid adducts and therapeutic drugs for senile dementia KYORIN PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 US disclosed
EP-0719773-A1 IMIDAZOLIDINONE DERIVATIVE, ACID-ADDITION SALT THEREOF, AND REMEDY FOR SENILE DEMENTIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed