SCHEMBL6270710

SCHEMBL6270710

Cc1ccccc1-n1ncc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.71
ALDH1A1 P00352 4/20 0.71
KDM4E B2RXH2 1/20 0.71
MEN1 O00255 1/20 0.71
GAA P10253 1/20 0.71
KMT2A Q03164 1/20 0.71
TP53 P04637 9/20 0.67
LMNA P02545 9/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56

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
SCHEMBL6264705 0.89 MAPT (0.75) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL6264746 0.86 MAPT (0.64) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL17474420 0.83 MAPT (1.00) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL6263779 0.81 MAPT (0.76) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL6268635 0.80 MAPT (1.00) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL6266847 0.76 TP53 (0.55) MAPTALDH1A1KDM4ETP53LMNA
SCHEMBL23579671 0.76 KDM4E (0.75) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL30032758 0.76 KDM4E (0.75) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL8344398 0.74 LMNA (0.67) MAPTALDH1A1KDM4EGAATP53
SCHEMBL6268057 0.74 TP53 (0.71) MAPTALDH1A1KDM4EGAATP53

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