SCHEMBL6267014

SCHEMBL6267014

Cc1ccc(-n2ncc3c(Nc4ccc(S(N)(=O)=O)cc4)ncnc32)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
LMNA P02545 8/20 0.70
MAPT P10636 6/20 0.70
PIP4K2A P48426 5/20 0.70
TP53 P04637 3/20 0.67
HPGD P15428 6/20 0.58
ALDH1A1 P00352 4/20 0.58
ALOX15 P16050 1/20 0.56
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
ALPL P05186 1/20 0.52

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
SCHEMBL6268682 0.88 KDM4E (0.65) KDM4ELMNAMAPTPIP4K2ATP53
SCHEMBL6266576 0.84 KDM4E (0.77) KDM4ELMNAMAPTPIP4K2ATP53
SCHEMBL6264705 0.84 MAPT (0.75) KDM4ELMNAMAPTPIP4K2ATP53
SCHEMBL6269724 0.83 KDM4E (1.00) KDM4ELMNAMAPTPIP4K2ATP53
SCHEMBL6267266 0.82 KDM4E (0.60) KDM4ELMNAMAPTPIP4K2ATP53
SCHEMBL6266583 0.82 LMNA (0.73) KDM4ELMNAMAPTPIP4K2ATP53
SCHEMBL6268886 0.82 LMNA (0.73) KDM4ELMNAMAPTPIP4K2ATP53
SCHEMBL6267297 0.81 MAPT (0.81) KDM4ELMNAMAPTPIP4K2ATP53
SCHEMBL6271125 0.80 MAPT (0.82) KDM4ELMNAMAPTPIP4K2ATP53
SCHEMBL16363282 0.80 MAPT (0.65) KDM4ELMNAMAPTPIP4K2ATP53

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-2005047288-A1 PYRAZOLOPYRIMIDINES AS ANTI - HEPATITS C AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-05-26 WO disclosed