SCHEMBL7260701

SCHEMBL7260701

Cc1c(Sc2ccccc2)n(COC=Cc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PKM P14618 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.32
GAA P10253 3/20 0.32
TK1 P04183 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7259761 0.87 ALDH1A1 (0.36) LMNANPSR1PKMTSHRMAPK1
SCHEMBL7213302 0.82 MAPK1 (0.44) LMNANPSR1PKMTSHRMAPK1
SCHEMBL7015162 0.79 ALDH1A1 (0.58) LMNANPSR1PKMTSHRMAPK1
SCHEMBL7255945 0.77 ALDH1A1 (0.38) LMNANPSR1TSHRMAPK1ALDH1A1
Hept SCHEMBL384288 0.77 UPP1 (0.48) NPSR1TSHRMAPK1ALDH1A1HPGD
SCHEMBL7219920 0.76 ALDH1A1 (0.52) LMNANPSR1PKMTSHRMAPK1
SCHEMBL7260700 0.75 ALDH1A1 (0.36) LMNANPSR1PKMTSHRMAPK1
SCHEMBL7219572 0.73 ALDH1A1 (0.39) NPSR1TSHRMAPK1ALDH1A1HPGD
SCHEMBL7215330 0.73 ALDH1A1 (0.43) LMNANPSR1PKMTSHRMAPK1
SCHEMBL9357368 0.72 ALDH1A1 (0.35) LMNANPSR1PKMTSHRMAPK1

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-2003057677-A1 ANTI-RETROVIRAL 5,6-DISUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVES SYDDANSK UNIVERSITET (DK) 2003-07-17 WO disclosed