SCHEMBL8619952

SCHEMBL8619952

COc1ccc(C=Nc2ccccc2C#N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
ALDH1A1 P00352 7/20 0.56
GAA P10253 4/20 0.56
HPGD P15428 4/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 2/20 0.50
S100B P04271 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
USP2 O75604 1/20 0.45
CASP1 P29466 1/20 0.45
BRCA1 P38398 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
TRPA1 O75762 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL8773627 0.84 LMNA (0.61) LMNAALDH1A1GAAHPGDKDM4E
SCHEMBL8773631 0.84 LMNA (0.61) LMNAALDH1A1GAAHPGDKDM4E
SCHEMBL16620673 0.83 LMNA (0.71) LMNAALDH1A1GAAHPGDKDM4E
SCHEMBL16620671 0.83 LMNA (0.71) LMNAALDH1A1GAAHPGDKDM4E
SCHEMBL11796171 0.82 LMNA (0.75) LMNAALDH1A1GAAHPGDKDM4E
SCHEMBL11587787 0.82 LMNA (0.75) LMNAALDH1A1GAAHPGDKDM4E
SCHEMBL6422393 0.82 LMNA (0.58) LMNAALDH1A1GAAHPGDKDM4E
SCHEMBL6369640 0.79 LMNA (0.54) LMNAALDH1A1HPGDKDM4EMAPT
SCHEMBL6420527 0.79 LMNA (0.54) LMNAALDH1A1HPGDKDM4EMAPT
SCHEMBL10410005 0.79 LMNA (0.66) LMNAALDH1A1HPGDKDM4EMAPT

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-5843333-A Metallo organo liquid crystals in a polymer matrix SNIARICERCHE S.C.P.A (IT) 1998-12-01 US disclosed