SCHEMBL4743939

SCHEMBL4743939

O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
HTT P42858 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GFER P55789 4/20 0.58
KMT2A Q03164 2/20 0.57
HTR7 P34969 2/20 0.55
CACNA1B Q00975 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL14069571 0.93 KMT2A (0.56) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4746786 0.93 KMT2A (0.62) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4744239 0.92 KMT2A (0.64) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4743511 0.92 KMT2A (0.55) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4743915 0.92 KMT2A (0.55) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4746692 0.92 KMT2A (0.55) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4743988 0.92 GFER (0.57) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4746803 0.92 KMT2A (0.70) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4747945 0.91 KMT2A (0.53) ALDH1A1HTTNPSR1GFERKMT2A
SCHEMBL4747346 0.90 KMT2A (0.53) 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 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