SCHEMBL4746738

SCHEMBL4746738

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 5/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.48
HTR7 P34969 1/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46

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
SCHEMBL4747953 0.94 SMN1; SMN2 (0.58) GFERCRHBPCRHR2KMT2ASMN1; SMN2
SCHEMBL4743965 0.89 KMT2A (0.56) GFERCRHBPCRHR2KMT2ASMN1; SMN2
SCHEMBL4743939 0.88 ALDH1A1 (0.61) GFERKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL14069571 0.87 KMT2A (0.56) GFERKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4746786 0.87 KMT2A (0.62) GFERKMT2AMEN1ALDH1A1HTT
SCHEMBL4746692 0.86 KMT2A (0.55) GFERKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4743988 0.86 GFER (0.57) GFERKMT2AMEN1ALDH1A1HTT
SCHEMBL4743915 0.86 KMT2A (0.55) GFERKMT2AMEN1ALDH1A1HTT
SCHEMBL4743511 0.86 KMT2A (0.55) GFERKMT2AMEN1ALDH1A1HTT
SCHEMBL4746803 0.86 KMT2A (0.70) GFERCRHBPCRHR2KMT2ASMN1; SMN2

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