SCHEMBL4743926

SCHEMBL4743926

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
ALDH1A1 P00352 4/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 2/20 0.49
HTR7 P34969 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 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
SCHEMBL4743543 0.84 GFER (0.74) GFERCRHBPCRHR2CA1CA2
SCHEMBL4747987 0.83 SMN1; SMN2 (0.67) GFERCRHBPCRHR2CA1CA2
SCHEMBL4743929 0.82 GFER (0.53) GFERCRHBPCRHR2CA1CA2
SCHEMBL4747309 0.82 HTR7 (0.72) GFERCA1CA2CA9KMT2A
SCHEMBL4743912 0.81 KMT2A (0.58) GFERCA1CA2CA9ALDH1A1
SCHEMBL4743528 0.80 KMT2A (0.74) GFERCA1CA2CA9ALDH1A1
SCHEMBL4743525 0.79 CA1 (0.56) GFERCA1CA2CA9ALDH1A1
SCHEMBL4747940 0.79 ALDH1A1 (0.44) GFERCRHBPCRHR2CA1CA2
SCHEMBL4743497 0.79 KMT2A (0.56) GFERCA1CA2CA9ALDH1A1
SCHEMBL4745925 0.79 ALDH1A1 (0.55) GFERCA1CA2CA9ALDH1A1

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