SCHEMBL8388243

SCHEMBL8388243

CCOC(=O)c1ccc2c3ccccc3n(Cc3ccccc3)c2c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
GAA P10253 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
F2RL3 Q96RI0 2/20 0.47
ATM Q13315 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL8802010 0.86 TSHR (0.50) TSHRGAAKDM4EMAPTLMNA
SCHEMBL8389128 0.86 FABP4 (0.56) GAAKDM4EMAPTLMNAALDH1A1
SCHEMBL8390463 0.80 TSHR (0.47) TSHRGAAKDM4EMAPTLMNA
SCHEMBL8391208 0.79 CYP19A1 (0.44) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL11807828 0.79 TSHR (0.52) TSHRGAAKDM4EMAPTLMNA
SCHEMBL8387013 0.79 GAA (0.45) TSHRGAAKDM4EMAPTLMNA
SCHEMBL17625298 0.79 F10 (0.58) TSHRGAAKDM4EMAPTLMNA
SCHEMBL8180699 0.78 TSHR (0.60) TSHRGAAKDM4EMAPTLMNA
SCHEMBL8390306 0.78 MAPT (0.52) TSHRGAAKDM4EMAPTLMNA
SCHEMBL14019802 0.77 TSHR (0.54) TSHRGAAKDM4EMAPTLMNA

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