SCHEMBL5593701

SCHEMBL5593701

CN1CCN(c2cc3c(cc2N)c(I)nn3C2CCCCO2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.41
GAA P10253 2/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
PTK2B Q14289 1/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
RET P07949 1/20 0.33
TNK2 Q07912 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
PDE7A Q13946 1/20 0.32

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
SCHEMBL5593628 0.91 IP6K1 (0.36) ATRGAAKDM4EALDH1A1POLB
SCHEMBL5605093 0.84 ALDH1A1 (0.43) ATRGAAMAPTHTTALDH1A1
SCHEMBL5612758 0.82 BRPF1 (0.40) ATRMAPTPOLB
SCHEMBL5616695 0.81 GAA (0.42) ATRGAAALDH1A1POLBHSD17B10
SCHEMBL1024018 0.79 GAA (0.42) ATRGAAALDH1A1POLBHSD17B10
SCHEMBL5593861 0.77 ATR (0.34) ATRGAAKDM4EALDH1A1POLB
SCHEMBL5604700 0.75 ALDH1A1 (0.40) GAAMAPTMAPK1HTTALDH1A1
SCHEMBL14863556 0.74 ALDH1A1 (0.39) ATRGAAKDM4EMAPTALDH1A1
SCHEMBL29388171 0.74 ALDH1A1 (0.39) ATRGAAKDM4EMAPTALDH1A1
SCHEMBL29096485 0.73 ALDH1A1 (0.44) ATRGAAMAPK1ALDH1A1POLB

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