SCHEMBL7974227

SCHEMBL7974227

CCC(Oc1cccc2c1CCc1sc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc1-2)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 3/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PSMD14 O00487 1/20 0.35
RAB9A P51151 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
DNMT1 P26358 1/20 0.34
EIF4E P06730 2/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 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
SCHEMBL7974229 1.00 MAPT (0.38) MAPTHTTLMNANPSR1GAA
SCHEMBL7523936 0.85 MAPT (0.41) MAPTHTTLMNANPSR1GAA
SCHEMBL7523943 0.85 MAPT (0.41) MAPTHTTLMNANPSR1GAA
SCHEMBL7976488 0.82 MEN1 (0.33) MAPTLMNANPSR1GAAKMT2A
SCHEMBL7976487 0.81 PPARA (0.37) MAPTHTTLMNAKMT2AMEN1
SCHEMBL7521850 0.78 PPARA (0.37) MAPTLMNANPSR1GAAKMT2A
SCHEMBL7962804 0.76 KMT2A (0.34) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7974272 0.76 PPARA (0.39) MAPTLMNAKMT2ASMN1; SMN2RAB9A
SCHEMBL7976456 0.76 PPARA (0.39) MAPTLMNAKMT2ASMN1; SMN2RAB9A
SCHEMBL7972424 0.76 PPARA (0.37) MAPTLMNARAB9ATP53

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-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed