SCHEMBL8018403

SCHEMBL8018403

CO/N=C(/C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 2/20 0.51
CES1 P23141 2/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
SRD5A2 P31213 2/20 0.49
CES2 O00748 1/20 0.49
POLB P06746 2/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL8018407 1.00 TDP1 (0.53) TDP1MAPK1CES1CA1CA2
SCHEMBL8007718 0.81 MAPT (0.50) MAPK1CES1CA1CA2POLB
SCHEMBL8007714 0.81 MAPT (0.50) MAPK1CES1CA1CA2POLB
SCHEMBL8017795 0.80 TDP1 (0.60) TDP1MAPK1CES1CA1CA2
SCHEMBL8017793 0.80 TDP1 (0.60) TDP1MAPK1CES1CA1CA2
SCHEMBL10442166 0.79 TDP1 (0.44) TDP1MAPK1CES1CA1CA2
SCHEMBL10022020 0.78 MAPK1 (0.56) TDP1MAPK1CES1CA1CA2
SCHEMBL9658209 0.78 TPMT (0.46) MAPK1CA1CA2TSHRALDH1A1
SCHEMBL9658211 0.78 TPMT (0.46) MAPK1CA1CA2TSHRALDH1A1
SCHEMBL9659486 0.78 CA1 (0.48) TDP1MAPK1CA1CA2SRD5A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed