SCHEMBL8765717

SCHEMBL8765717

CC(N)Oc1cccc([O])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PARP1 P09874 1/20 0.35
PTGS1 P23219 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CA2 P00918 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL7651909 0.85 TAAR1 (0.44) OGG1TAAR1RXRARXRBMEN1
SCHEMBL1808381 0.83 RXRA (0.50) RXRARXRBMEN1KMT2AGAA
SCHEMBL11579352 0.78 ACHE (0.54) MEN1KMT2APARP1GAAALDH1A1
SCHEMBL11578736 0.78 TAAR1 (0.56) TAAR1PARP1MTNR1AMTNR1BALDH1A1
SCHEMBL9987172 0.77 GPBAR1 (0.46) MTNR1AMTNR1BGAATSHRALDH1A1
SCHEMBL1807403 0.77 GPBAR1 (0.46) MTNR1AMTNR1BGAATSHRALDH1A1
SCHEMBL23067916 0.76 HPGD (0.49) MEN1KMT2APARP1HPGDACHE
SCHEMBL8059974 0.76 OGG1 (0.58) OGG1KMT2AALDH1A1KDM4E
SCHEMBL11582759 0.76 HSD17B10 (0.44) KMT2APARP1GAAALDH1A1KDM4E
SCHEMBL8765732 0.76 CYP3A4 (0.53) PARP1ALDH1A1CA2KDM4EHSD17B10

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
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed