SCHEMBL8802131

SCHEMBL8802131

CSc1c(OC(C)=O)cc(C(F)(F)F)c2c1[nH]c1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.40
KIF11 P52732 2/20 0.39
HTT P42858 2/20 0.37
MCL1 Q07820 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CRHBP P24387 1/20 0.37
MAPK1 P28482 1/20 0.37
CRHR2 Q13324 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSK3B P49841 2/20 0.36
ADK P55263 2/20 0.36
BACE1 P56817 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
TUBB4A P04350 5/20 0.36
TUBB P07437 5/20 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
SCHEMBL9057701 0.84 HTT (0.49) SLC22A6KIF11HTTMAPTKDM4E
SCHEMBL8803144 0.81 SLC22A6 (0.41) SLC22A6HTTMAPTKDM4EALDH1A1
SCHEMBL8801465 0.79 SLC22A6 (0.40) SLC22A6HTTMAPTKDM4EALDH1A1
SCHEMBL8390401 0.78 MAPT (0.41) KIF11MCL1MAPTKDM4EALDH1A1
SCHEMBL8801909 0.76 SLC22A6 (0.48) SLC22A6KIF11HTTMAPTKDM4E
SCHEMBL8388289 0.73 SLC22A6 (0.48) SLC22A6KIF11HTTMAPTKDM4E
SCHEMBL9056901 0.70 MEN1 (0.42) MCL1MAPTKDM4EALDH1A1MAPK1
SCHEMBL9056902 0.70 MEN1 (0.42) MCL1MAPTKDM4EALDH1A1MAPK1
SCHEMBL9055605 0.69 KDM4E (0.35) MAPTKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL9055602 0.68 GABRP (0.35) MAPTKDM4EALDH1A1HSD17B10TUBB4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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