SCHEMBL9711468

SCHEMBL9711468

COc1ccc(C2CC(=O)C(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C(=O)N2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 6/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
MAPK1 P28482 4/20 0.38
TP53 P04637 1/20 0.38
RAF1 P04049 1/20 0.38
GFER P55789 1/20 0.38
PAX8 Q06710 1/20 0.38
HPD P32754 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 3/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL9711666 0.89 HPGD (0.45) SMN1; SMN2MAPTHPGDHPDTDP1
SCHEMBL9711509 0.87 HPGD (0.43) SMN1; SMN2MAPTALDH1A1HPGDMAPK1
SCHEMBL9711571 0.87 FLT1 (0.41) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL9711519 0.87 TRPV1 (0.42) SMN1; SMN2MAPTALDH1A1HPGDHPD
SCHEMBL9711510 0.87 MAPT (0.43) SMN1; SMN2MAPTLMNAALDH1A1MAPK1
SCHEMBL9711462 0.86 SMN1; SMN2 (0.38) SMN1; SMN2MAPTALDH1A1HPGDHPD
SCHEMBL9711558 0.85 HPD (0.41) SMN1; SMN2MAPTALDH1A1HPGDHPD
SCHEMBL9711544 0.84 HPD (0.40) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL9711492 0.81 HPD (0.43) SMN1; SMN2LMNAALDH1A1HPGDMAPK1
SCHEMBL9711701 0.79 ALDH1A1 (0.43) SMN1; SMN2MAPTALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed