SCHEMBL5593628

SCHEMBL5593628

Nc1cc2c(I)nn(C3CCCCO3)c2cc1N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ATR Q13535 9/20 0.35
GAA P10253 3/20 0.35
RET P07949 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DGAT2 Q96PD7 1/20 0.31
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL5593701 0.91 ATR (0.41) POLBALDH1A1LMNAATRGAA
SCHEMBL5593861 0.84 ATR (0.34) IP6K1POLBALDH1A1LMNAATR
SCHEMBL5604700 0.83 ALDH1A1 (0.40) POLBALDH1A1LMNAGAAL3MBTL1
SCHEMBL5616695 0.82 GAA (0.42) POLBALDH1A1LMNAATRGAA
SCHEMBL1024018 0.80 GAA (0.42) POLBALDH1A1LMNAATRGAA
SCHEMBL14863556 0.77 ALDH1A1 (0.39) POLBALDH1A1LMNAATRGAA
SCHEMBL29388171 0.77 ALDH1A1 (0.39) POLBALDH1A1LMNAATRGAA
SCHEMBL29096485 0.76 ALDH1A1 (0.44) POLBALDH1A1LMNAATRGAA
SCHEMBL30639308 0.76 ALDH1A1 (0.44) POLBALDH1A1LMNAATRGAA
SCHEMBL5605093 0.75 ALDH1A1 (0.43) ALDH1A1LMNAATRGAA

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