SCHEMBL8889460

SCHEMBL8889460

COc1ccc(Cn2nc(-c3ccccc3)c(-c3ccc(=O)n(C(C)C)n3)c2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 4/20 0.42
HDAC1 Q13547 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGER4 P35408 2/20 0.41
NPBWR1 P48145 1/20 0.41
PDE4B Q07343 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE5A O76074 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL8887601 0.80 LMNA (0.48) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL6825199 0.76 CASR (0.41) KDM4EALDH1A1PTGDR2ADORA2A
SCHEMBL6822483 0.75 CMKLR1 (0.42) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL8889377 0.74 LMNA (0.48) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL3841611 0.74 MAPT (0.70) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL5150680 0.74 GAA (0.45) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL5149215 0.74 GAA (0.45) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL5147948 0.73 HIF1A (0.44) MEN1KMT2AHTTNPSR1MAPT
SCHEMBL6821959 0.73 ADORA1 (0.42) PTGDR2
SCHEMBL5149209 0.72 MAPT (0.45) MEN1KMT2ASMN1; SMN2HTTNPSR1

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
WO-1997001551-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-16 WO disclosed