SCHEMBL13236392

SCHEMBL13236392

O=[N+]([O-])c1ccc(Cl)cc1Sc1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 14/20 0.70
▸ PDE7B Q9NP56 3/20 0.70
▸ ALDH1A1 P00352 1/20 0.57
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ SLC6A4 P31645 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL1342485 0.82 PDE7A (0.64) PDE7APDE7BALDH1A1KMT2ALMNA
SCHEMBL17985425 0.82 PDE7A (0.55) PDE7APDE7BALDH1A1KMT2ALMNA
SCHEMBL28405 0.80 PDE7A (0.77) PDE7APDE7BALDH1A1KMT2ALMNA
SCHEMBL4963975 0.76 PDE7A (0.82) PDE7APDE7BALDH1A1KMT2ALMNA
SCHEMBL5880619 0.76 PDE7A (0.69) PDE7APDE7BKMT2AMAPK1TSHR
SCHEMBL27735806 0.74 MAPK1 (0.51) PDE7APDE7BALDH1A1KMT2ALMNA
SCHEMBL2960424 0.73 SLC6A4 (0.61) PDE7APDE7BALDH1A1KMT2ALMNA
SCHEMBL29485896 0.73 MAPK1 (0.64) PDE7APDE7BALDH1A1KMT2ALMNA
SCHEMBL29348 0.73 MAPK1 (0.64) PDE7APDE7BALDH1A1KMT2ALMNA
SCHEMBL13236393 0.73 PDE7A (0.57) PDE7APDE7BALDH1A1KMT2AMAPK1

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-7750158-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-07-06 — — US disclosed
US-7750158-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-07-06 — — US disclosed
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