SCHEMBL8035129

SCHEMBL8035129

COc1cc(Cl)c(C(=O)NC(=O)NC2CC2)c([N+](=O)[O-])c1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 4/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPIA P62937 1/20 0.37
PYGL P06737 1/20 0.37
MCL1 Q07820 1/20 0.36
HTR4 Q13639 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
SCHEMBL8036155 0.84 MEN1 (0.42) MEN1KMT2APYGLHTR4
SCHEMBL8025559 0.84 MAPT (0.37) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL8032230 0.82 MAPT (0.38) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL8022533 0.80 G6PD (0.38) MAPTPOLBMEN1KMT2APYGL
SCHEMBL8038220 0.80 PPIA (0.42) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL8038459 0.79 TRPV1 (0.39) ALDH1A1MAPTSMN1; SMN2
SCHEMBL8028329 0.79 G6PD (0.37) MAPTPOLBKDM4ESMN1; SMN2MEN1
SCHEMBL3239416 0.76 ALDH1A1 (0.48) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL8025557 0.76 FAAH (0.36) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL8025556 0.75 NPSR1 (0.42) ALDH1A1MAPTPOLBLMNAKDM4E

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-2009081892-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO disclosed