SCHEMBL4747940

SCHEMBL4747940

O=C1CSC(c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GFER P55789 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4743926 0.79 GFER (0.53) ALDH1A1HTTNPSR1GFERCRHBP
SCHEMBL4747987 0.74 SMN1; SMN2 (0.67) ALDH1A1HTTNPSR1GFERCRHBP
SCHEMBL4743543 0.74 GFER (0.74) GFERCRHBPCRHR2KMT2AMEN1
SCHEMBL4748024 0.71 CA1 (0.67) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4743525 0.69 CA1 (0.56) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4743532 0.69 GFER (0.70) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4747965 0.69 KMT2A (0.56) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4743949 0.69 ALDH1A1 (0.64) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4745925 0.69 ALDH1A1 (0.55) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4787150 0.69 ALDH1A1 (0.82) ALDH1A1HTTNPSR1GFERKMT2A

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
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO claimed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed