SCHEMBL17522876

SCHEMBL17522876

CCCC1Oc2ccc(Cl)nc2C2Cc3c(F)cccc3N12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.34
GRM2 Q14416 1/20 0.34
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.30
AADAT Q8N5Z0 1/20 0.30

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
SCHEMBL14772134 0.90 GRM2 (0.33) GRM2DRD2HTR2AHRH1
SCHEMBL14765109 0.85 MEN1 (0.33) DRD2HTR2AHRH1
SCHEMBL14765043 0.80 MAPK1 (0.36) SMN1; SMN2LMNAKDM4EUSP2MAPK1
SCHEMBL21013664 0.69 SMN1; SMN2 (0.33) SMN1; SMN2KDM4EGLAUSP2MAPK1
SCHEMBL9286625 0.56 AR (0.42) GRM2LMNAKDM4EGLAHSD17B10
SCHEMBL9281425 0.55 PSEN1 (0.39) GRM2LMNAKDM4EGLAHSD17B10
SCHEMBL5559755 0.54 SIRT1 (0.37)
SCHEMBL14763878 0.54 MEN1 (0.32)
SCHEMBL19605722 0.53 GRM2 (0.43) GRM2SMN1; SMN2KDM4EGLAHSD17B10
SCHEMBL11823485 0.53 AADAT (0.45) SMN1; SMN2LMNAKDM4EUSP2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed