SCHEMBL5322245

SCHEMBL5322245

COC(=O)c1nc2ccccc2[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.61
HTT P42858 1/20 0.61
KDM4E B2RXH2 11/20 0.57
ALDH1A1 P00352 10/20 0.57
HSD17B10 Q99714 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.56
NPC1 O15118 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
MAPT P10636 3/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
POLB P06746 2/20 0.52
KHK P50053 1/20 0.50

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
SCHEMBL6939079 0.86 HPGD (0.72) HPGDHTTKDM4EALDH1A1HSD17B10
SCHEMBL880365 0.84 ALDH1A1 (0.62) HPGDHTTKDM4EALDH1A1HSD17B10
SCHEMBL16589495 0.82 HPGD (0.67) HPGDHTTKDM4EALDH1A1HSD17B10
Butane SCHEMBL7847687 0.81 ALDH1A1 (0.60) HPGDHTTKDM4EALDH1A1HSD17B10
SCHEMBL880382 0.80 HPGD (0.73) HPGDHTTKDM4EALDH1A1HSD17B10
SCHEMBL6606040 0.80 EGFR (0.48) SMN1; SMN2LMNAHIF1A
SCHEMBL30623245 0.80 EGFR (0.48) SMN1; SMN2LMNAHIF1A
SCHEMBL30824255 0.79 HPGD (0.67) HPGDHTTKDM4EALDH1A1HSD17B10
SCHEMBL1793179 0.79 SMN1; SMN2 (0.60) HPGDHTTKDM4EALDH1A1HSD17B10
SCHEMBL17817603 0.76 HPGD (1.00) HPGDHTTKDM4EALDH1A1HSD17B10

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-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed