SCHEMBL2828678

SCHEMBL2828678

NC(=O)Oc1ccc(C#Cc2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 11/20 0.39
HPGD P15428 7/20 0.39
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 6/20 0.38
HSD17B10 Q99714 4/20 0.38
MEN1 O00255 3/20 0.38
USP2 O75604 2/20 0.38
CASP1 P29466 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CASP7 P55210 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1348739 0.87 LMNA (0.42) LMNAALDH1A1HPGDKDM4EKMT2A
SCHEMBL1347991 0.86 LMNA (0.39) LMNAALDH1A1HPGDKDM4EKMT2A
SCHEMBL28773335 0.82 HPGD (0.44) LMNAALDH1A1HPGDKDM4EKMT2A
SCHEMBL1349125 0.82 CSNK2A1 (0.40) LMNAALDH1A1HPGDKDM4EKMT2A
SCHEMBL5232582 0.82 LMNA (0.38) LMNAALDH1A1HPGDKDM4EKMT2A
SCHEMBL1348243 0.79 CSNK2A1 (0.45) LMNAALDH1A1HPGDKDM4EKMT2A
SCHEMBL1348601 0.79 KIF11 (0.42) LMNAALDH1A1HPGDKDM4EKMT2A
SCHEMBL1348900 0.78 LMNA (0.39) LMNAALDH1A1HPGDKDM4EKMT2A
SCHEMBL1349129 0.77 LCK (0.43) LMNAALDH1A1HPGDKDM4ETSHR
SCHEMBL1349027 0.76 LMNA (0.39) LMNAALDH1A1HPGDKDM4EKMT2A

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
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 EP claimed