SCHEMBL8036166

SCHEMBL8036166

COCC1c2[nH]c3ccc(OC)cc3c2CCN1C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.58
TP53 P04637 4/20 0.56
MAPT P10636 4/20 0.56
SIRT1 Q96EB6 2/20 0.52
MAPKAPK5 Q8IW41 1/20 0.52
BAZ2B Q9UIF8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
KDR P35968 1/20 0.50
KIF11 P52732 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HTR2B P41595 1/20 0.48
KMT2A Q03164 1/20 0.48
ABCB1 P08183 1/20 0.47

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
SCHEMBL9401138 0.88 MAPKAPK2 (0.59) MAPKAPK2TP53MAPTSIRT1MAPKAPK5
SCHEMBL2707877 0.84 MAPKAPK2 (0.62) MAPKAPK2TP53MAPTSIRT1MAPKAPK5
SCHEMBL10857689 0.82 MAPKAPK2 (0.52) MAPKAPK2TP53MAPTSIRT1MAPKAPK5
SCHEMBL6243057 0.82 MAPKAPK2 (0.65) MAPKAPK2TP53MAPTSIRT1MAPKAPK5
SCHEMBL998246 0.82 MAPKAPK2 (0.59) MAPKAPK2TP53MAPTSIRT1MAPKAPK5
SCHEMBL10816803 0.80 MAPKAPK2 (0.49) MAPKAPK2TP53MAPTSIRT1MAPKAPK5
SCHEMBL9401140 0.77 MAPKAPK2 (0.61) MAPKAPK2TP53MAPTSIRT1MAPKAPK5
SCHEMBL8025879 0.77 MAPKAPK2 (0.59) MAPKAPK2TP53MAPTSIRT1MAPKAPK5
SCHEMBL7850959 0.77 MAPKAPK2 (0.56) MAPKAPK2TP53MAPTSIRT1MAPKAPK5
SCHEMBL12993594 0.77 KIF11 (0.71) TP53MAPTSMN1; SMN2ABCG2KIF11

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-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 US disclosed
EP-0781281-A1 NOVEL MELATONIN AGONIST $g(b)-CARBOLINE DERIVATIVES AND ANALOGS WITH A NAPHTHALENIC STRUCTURE, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS CEMAF (FR) 1997-07-02 EP disclosed
WO-1996008490-A1 NOVEL MELATONIN AGONIST β-CARBOLINE DERIVATIVES AND ANALOGS WITH A NAPHTHALENIC STRUCTURE, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS CEMAF (FR) 1996-03-21 WO disclosed