SCHEMBL4747958

SCHEMBL4747958

Nc1ccc(Nc2ccc(N3C(=O)CSC3c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.51
GFER P55789 3/20 0.50
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
CACNA1B Q00975 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4744264 0.87 KMT2A (0.66) HTR7GFERKMT2AALDH1A1SMN1; SMN2
SCHEMBL4743953 0.85 GFER (0.60) HTR7GFERCA1CA2CA9
SCHEMBL4746657 0.82 CA1 (0.57) HTR7GFERCA1CA2CA9
SCHEMBL4743942 0.82 HTR7 (0.59) HTR7GFERCA1CA2CA9
SCHEMBL4744293 0.82 GFER (0.56) HTR7GFERCA1CA2CA9
SCHEMBL27881749 0.82 GFER (0.61) HTR7GFERCA1CA2CA9
SCHEMBL4743928 0.82 HTR7 (0.56) HTR7GFERCA1CA2CA9
SCHEMBL4747360 0.80 HTR7 (0.56) HTR7GFERCA1CA2CA9
SCHEMBL4747311 0.80 CA1 (0.54) HTR7GFERCA1CA2CA9
SCHEMBL4747942 0.80 KMT2A (0.74) HTR7GFERKMT2AALDH1A1SMN1; 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 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 disclosed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed