SCHEMBL8926352

SCHEMBL8926352

O=[N+]([O-])c1ccccc1Sc1ccc([C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.56
▸ PDE7A Q13946 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ GAA P10253 2/20 0.50
▸ PDE7B Q9NP56 1/20 0.50
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ HTT P42858 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ BCL2L1 Q07817 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ GSTP1 P09211 2/20 0.45
▸ GSTM2 P28161 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1713219 0.85 PDE7A (0.65) MAPTPDE7ASMN1; SMN2GAAPDE7B
SCHEMBL30338244 0.85 PDE7A (0.65) MAPTPDE7ASMN1; SMN2GAAPDE7B
SCHEMBL11760310 0.82 PDE7A (0.56) MAPTPDE7ASMN1; SMN2GAAPDE7B
Acetic Acid SCHEMBL8213274 0.81 MAPT (0.67) MAPTPDE7ASMN1; SMN2GAAPDE7B
SCHEMBL7665295 0.79 PDE7A (0.67) PDE7ASMN1; SMN2PDE7BMEN1KMT2A
SCHEMBL2614719 0.79 PDE7A (0.59) MAPTPDE7ASMN1; SMN2PDE7BMEN1
SCHEMBL8881808 0.79 MAPT (0.58) MAPTPDE7ASMN1; SMN2PDE7BMEN1
SCHEMBL9186731 0.79 PDE7A (0.56) MAPTPDE7ASMN1; SMN2GAAPDE7B
SCHEMBL10923003 0.79 PDE7A (0.65) MAPTPDE7ASMN1; SMN2PDE7BMEN1
SCHEMBL875772 0.77 PDE7A (0.78) MAPTPDE7ASMN1; SMN2GAAPDE7B

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-5620972-A Substituted benzene derivatives MERCK SHARP & DOHME LTD. (GB) 1997-04-15 — — US disclosed
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