SCHEMBL4747987

SCHEMBL4747987

O=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.67
ALDH1A1 P00352 5/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 1/20 0.62
GFER P55789 3/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
KMT2A Q03164 5/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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 0.87 GFER (0.74) SMN1; SMN2GFERCRHBPCRHR2KMT2A
SCHEMBL4748024 0.86 CA1 (0.67) ALDH1A1HTTGFERKMT2ACA1
SCHEMBL4747965 0.84 KMT2A (0.56) ALDH1A1HTTGFERKMT2ACA1
SCHEMBL4743949 0.84 ALDH1A1 (0.64) ALDH1A1HTTGFERKMT2ACA1
SCHEMBL4743978 0.84 GFER (0.54) SMN1; SMN2ALDH1A1HTTLMNAGFER
SCHEMBL4745883 0.83 KMT2A (0.55) ALDH1A1HTTGFERKMT2ACA1
SCHEMBL4745908 0.83 CA1 (0.63) ALDH1A1HTTGFERKMT2ACA1
SCHEMBL4743907 0.83 KMT2A (0.55) ALDH1A1HTTGFERKMT2ACA1
SCHEMBL4747343 0.83 KMT2A (0.58) ALDH1A1HTTGFERKMT2ACA1
SCHEMBL4743528 0.83 KMT2A (0.74) ALDH1A1HTTGFERKMT2ACA1

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