SCHEMBL27923737

SCHEMBL27923737

O=C(O)c1ccc(-c2ccncc2Cc2ccc3ccccc3c2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.46
FTO Q9C0B1 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
HPGD P15428 3/20 0.43
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGDR Q13258 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE10A Q9Y233 1/20 0.38
NR4A2 P43354 1/20 0.38

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
SCHEMBL27905840 0.86 CDC7 (0.42) FTOCCNCCDK8PDE10A
SCHEMBL624538 0.72 CDC7 (0.46) FTOCCNCCDK8TBXA2RPTGER4
SCHEMBL1725901 0.70 KDM4C (0.59) MKNK1MKNK2HPGDKDM4E
SCHEMBL1724770 0.69 MKNK1 (0.56) RPS6KB2MKNK1MKNK2HPGDKDM4E
SCHEMBL23110040 0.68 MEN1 (0.67) RPS6KB2MKNK1MKNK2HPGDKDM4E
SCHEMBL1724808 0.68 KDM4C (0.53) MKNK1MKNK2HPGDKDM4EALDH1A1
SCHEMBL3591688 0.66 MKNK1 (0.41) MKNK1MKNK2HPGDALDH1A1TDP1
SCHEMBL12076008 0.66 HPGD (0.62) MKNK1MKNK2HPGDKDM4EALDH1A1
SCHEMBL16670764 0.65 TSHR (0.63) FTOTBXA2RPTGER4PTGFRPTGER3
SCHEMBL24573252 0.65 HPGD (0.66) RPS6KB2HPGDKDM4EALDH1A1TDP1

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
CN-103153300-A Heteroaryls and uses thereof MILLENNIUM PHARM INC 2013-06-12 CN disclosed