SCHEMBL7283199

SCHEMBL7283199

CC(C)(C)N(C(=O)O)c1c2c(nc3ccccc13)CCCC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ POLB P06746 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ BCHE P06276 3/20 0.38
▸ ACHE P22303 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.36

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
SCHEMBL7272361 0.93 KDM4E (0.44) KDM4EHRH3ALDH1A1POLBMAPT
SCHEMBL7283735 0.83 KDM4E (0.41) KDM4EHRH3ALDH1A1POLBMAPT
SCHEMBL9875533 0.72 KDM4E (0.46) KDM4EHRH3ALDH1A1POLBMAPT
SCHEMBL8781744 0.71 KDM4E (0.55) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL4495989 0.71 KDM4E (0.82) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL9875385 0.70 KDM4E (0.54) KDM4EALDH1A1POLBMAPTHPGD
Hydrochloric Acid SCHEMBL8984092 0.70 KDM4E (0.80) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL7283210 0.69 ACHE (0.43) ALDH1A1MAPK1ACHE
SCHEMBL8791193 0.68 KDM4E (0.57) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL9040736 0.66 KDM4E (0.47) KDM4EALDH1A1POLBMAPTHPGD

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
EP-0481429-B1 Quinoline derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 — — EP disclosed
EP-0987262-A1 Quinoline derivatives SS PHARMACEUTICAL CO., LTD. (JP) 2000-03-22 — — EP disclosed
US-5300517-A Treating Alzheimer's SS PHARMACEUTICAL CO., LTD. (JP) 1994-04-05 — — US disclosed
US-5240934-A Cognition activators SS PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 — — US disclosed
US-5190951-A Inhibitors of acetylcholinesterase, treatment of senile dementia SS PHARMACEUTICAL CO., LTD. (JP) 1993-03-02 — — US disclosed
EP-0481429-A2 Quinoline derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 — — EP disclosed
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