SCHEMBL27675643

SCHEMBL27675643

CCOC(=O)C(CC)C(=O)Oc1c(Br)cncc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
GAA P10253 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 7/20 0.37
KDM4E B2RXH2 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 2/20 0.32
GALR2 O43603 1/20 0.32
MITF O75030 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
XBP1 P17861 1/20 0.32
CCR6 P51684 1/20 0.32
RAB9A P51151 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
SCHEMBL952570 0.76 ALDH1A1 (0.38) ALDH1A1GAAL3MBTL1MAPTCRHBP
SCHEMBL25341053 0.76 MAPT (0.34) ALDH1A1GAAL3MBTL1MAPTSMN1; SMN2
SCHEMBL3487176 0.75 ALDH1A1 (0.39) ALDH1A1GAAMAPTSMN1; SMN2MAPK1
SCHEMBL20657212 0.73 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1MAPTCRHBP
SCHEMBL2616395 0.73 SMN1; SMN2 (0.37) ALDH1A1GAAL3MBTL1MAPTKDM4E
SCHEMBL2123641 0.72 GAA (0.34) ALDH1A1GAAMAPTCRHBPCRHR2
SCHEMBL3470550 0.72 MAPT (0.34) ALDH1A1GAAL3MBTL1MAPTCRHBP
SCHEMBL15864377 0.71 ALDH1A1 (0.39) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL25345518 0.70 ALDH1A1 (0.39) ALDH1A1GAAL3MBTL1MAPTKDM4E
SCHEMBL20517661 0.70 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1MAPTKDM4E

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-1933834-A Use of indazolecarboxamide derivatives for the preparation of a medicament for the treatment and prevention of malaria SANOFI AVENTIS (FR) 2007-03-21 CN disclosed