SCHEMBL10859656

SCHEMBL10859656

O=[N+]([O-])c1ccc(Cl)c(C=Cc2nc3ccccc3s2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.57
MAPT P10636 9/20 0.56
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 4/20 0.50
APP P05067 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
MEN1 O00255 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CLK1 P49759 1/20 0.47
ALOX5 P09917 1/20 0.47
EPHX2 P34913 1/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL2118962 0.81 KAT8 (0.59) SNCAMAPTALDH1A1KMT2AAPP
SCHEMBL1228438 0.81 KAT8 (0.59) SNCAMAPTALDH1A1KMT2AAPP
SCHEMBL6116681 0.80 SNCA (0.53) SNCAMAPTALDH1A1KMT2AAPP
SCHEMBL6116675 0.80 SNCA (0.53) SNCAMAPTALDH1A1KMT2AAPP
SCHEMBL537900 0.79 SNCA (0.57) SNCAMAPTALDH1A1KMT2AAPP
SCHEMBL3447907 0.79 SNCA (0.57) SNCAMAPTALDH1A1KMT2AAPP
SCHEMBL2243418 0.76 MMP13 (0.63) MAPTALDH1A1KMT2AAPPMMP2
SCHEMBL3201875 0.76 MAPT (0.55) SNCAMAPTALDH1A1KMT2AAPP
SCHEMBL3201868 0.76 MAPT (0.55) SNCAMAPTALDH1A1KMT2AAPP
SCHEMBL10860786 0.75 MAPT (0.48) MAPTALDH1A1KMT2AMEN1NPSR1

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
US-4590275-A CYTOTOXIC, ANTITUMOR, ANTIVIRAL AGENTS COMMONWEALTH OF PUERTO RICO (US) 1986-05-20 US disclosed