SCHEMBL4743977

SCHEMBL4743977

O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(-c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
HTR7 P34969 2/20 0.48
GFER P55789 4/20 0.47
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CACNA1B Q00975 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CETP P11597 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL4744306 0.90 HTR7 (0.53) KMT2AHTR7GFERCA1CA2
SCHEMBL4747945 0.88 KMT2A (0.53) KMT2AHTR7GFERCA1CA2
SCHEMBL4747311 0.83 CA1 (0.54) KMT2AHTR7GFERCA1CA2
SCHEMBL4743953 0.83 GFER (0.60) KMT2AHTR7GFERCA1CA2
SCHEMBL4747931 0.83 HTR7 (0.53) KMT2AHTR7GFERCA1CA2
SCHEMBL4743939 0.83 ALDH1A1 (0.61) KMT2AHTR7GFERCA1CA2
SCHEMBL4747942 0.81 KMT2A (0.74) KMT2AHTR7GFERALDH1A1MEN1
SCHEMBL4747356 0.81 HTR7 (0.51) KMT2AHTR7GFERCA1CA2
SCHEMBL4746657 0.80 CA1 (0.57) KMT2AHTR7GFERCA1CA2
SCHEMBL4743942 0.80 HTR7 (0.59) KMT2AHTR7GFERCA1CA2

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 2 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