SCHEMBL4743543

SCHEMBL4743543

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

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.74
CRHBP P24387 1/20 0.74
CRHR2 Q13324 1/20 0.74
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
HTR7 P34969 1/20 0.51
PTGS2 P35354 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4747987 0.87 SMN1; SMN2 (0.67) GFERCRHBPCRHR2KMT2AMEN1
SCHEMBL4743978 0.85 GFER (0.54) GFERCRHBPCRHR2KMT2AMEN1
SCHEMBL4743929 0.84 GFER (0.53) GFERCRHBPCRHR2KMT2AMEN1
SCHEMBL4743926 0.84 GFER (0.53) GFERCRHBPCRHR2KMT2AMEN1
SCHEMBL4747357 0.84 PTGS2 (0.61) GFERCRHBPCRHR2KMT2AMEN1
SCHEMBL4747309 0.84 HTR7 (0.72) GFERKMT2AMEN1CA1CA2
SCHEMBL4747947 0.84 GFER (0.72) GFERCRHBPCRHR2KMT2AMEN1
SCHEMBL4745920 0.84 CA1 (0.60) GFERCRHBPCRHR2KMT2AMEN1
SCHEMBL4743532 0.83 GFER (0.70) GFERKMT2AMEN1CA1CA2
SCHEMBL4743525 0.81 CA1 (0.56) GFERKMT2AMEN1CA1CA2

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 3 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
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed