SCHEMBL5594265

SCHEMBL5594265

C#Cc1nn(C2CCCCO2)c2cc(N3CCCC3)c(NC(C)=O)cc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 4/20 0.36
MAPT P10636 6/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.35
DGAT2 Q96PD7 1/20 0.35
ATR Q13535 2/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5593861 0.81 ATR (0.34) ALDH1A1KDM4EPOLBATRGAA
SCHEMBL5593784 0.78 MAPT (0.44) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL5593679 0.77 AURKA (0.36) BRPF1MAPTMEN1KMT2AALDH1A1
SCHEMBL5593675 0.76 MAPT (0.36) BRPF1MAPTMEN1KMT2AALDH1A1
SCHEMBL9951722 0.73 DGAT2 (0.40) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL9951697 0.72 HCAR3 (0.41) MEN1KMT2AALDH1A1KDM4EDGAT2
SCHEMBL26686137 0.72 OPRK1 (0.39) DGAT2ATR
SCHEMBL30632780 0.72 OPRK1 (0.39) DGAT2ATR
SCHEMBL9952378 0.70 RXRA (0.41) DGAT2ATR
SCHEMBL30632696 0.67 TYRO3 (0.41) ATR

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-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 WO disclosed