SCHEMBL8387013

SCHEMBL8387013

CCOC(=O)C=Cc1ccc2c3ccccc3n(Cc3ccccc3)c2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 2/20 0.42
CYP19A1 P11511 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSPO P30536 1/20 0.39
FABP4 P15090 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8388808 0.79 CYP19A1 (0.53) ALDH1A1TSHRCYP19A1MAPTKDM4E
SCHEMBL8388243 0.79 TSHR (0.54) GAAALDH1A1POLBTSHRCYP19A1
SCHEMBL10629344 0.78 BACE1 (0.58) ALDH1A1POLBMAPTKDM4EF2RL3
SCHEMBL10629219 0.78 BACE1 (0.58) ALDH1A1POLBMAPTKDM4EF2RL3
SCHEMBL8390463 0.75 TSHR (0.47) GAAALDH1A1POLBTSHRCYP19A1
SCHEMBL8389128 0.74 FABP4 (0.56) GAAALDH1A1CYP19A1MAPTKDM4E
SCHEMBL10624942 0.74 MAPT (0.47) GAAALDH1A1POLBTSHRMAPT
SCHEMBL10625137 0.74 MAPT (0.47) GAAALDH1A1POLBTSHRMAPT
SCHEMBL11218812 0.73 CA12 (0.54) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL6853096 0.73 CA12 (0.54) MAPTKDM4ELMNAMEN1KMT2A

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-5877199-A ALZHEIMER'S DISEASE; SEDATIVE SANKYO COMPANY, LIMITED (JP) 1999-03-02 US disclosed
EP-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed