SCHEMBL27809771

SCHEMBL27809771

Cc1cc([N+](=O)[O-])c2[nH]c(-c3nc(CC(=O)O)cs3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
FBP1 P09467 1/20 0.39
LMNA P02545 1/20 0.39
SHMT1 P34896 5/20 0.37
MAPT P10636 2/20 0.37
SHMT2 P34897 3/20 0.37
HSD17B10 Q99714 2/20 0.36
GCK P35557 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

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
SCHEMBL27964610 0.88 GRIN2D (0.38) KDM4EALDH1A1FBP1LMNASHMT1
SCHEMBL27787923 0.84 APEX1 (0.53) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL27809827 0.84 ALDH1A1 (0.43) KDM4EALDH1A1GAAFBP1GRIN2D
SCHEMBL3031102 0.79 RAB9A (0.53) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL27809770 0.79 XDH (0.36) SMN1; SMN2FBP1LMNAMAPTMEN1
SCHEMBL3725762 0.79 XDH (0.44) GAASMN1; SMN2FBP1MAPTMEN1
SCHEMBL27809792 0.71 APEX1 (0.47) KDM4EHPGDSMN1; SMN2FBP1MAPT
SCHEMBL2768879 0.71 FBP1 (0.64) KDM4EALDH1A1HPGDGAAFBP1
SCHEMBL3032569 0.70 FBP1 (0.37) ALDH1A1HPGDGAASMN1; SMN2FBP1
SCHEMBL3032564 0.70 FBP1 (0.37) ALDH1A1HPGDGAASMN1; SMN2FBP1

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-101801965-A Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-08-11 CN disclosed