SCHEMBL4743528

SCHEMBL4743528

O=C1CSC(c2cccc(F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.74
GFER P55789 3/20 0.69
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
CA9 Q16790 3/20 0.63
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 2/20 0.57
HTR7 P34969 5/20 0.55
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL4743912 0.90 KMT2A (0.58) KMT2AGFERCA1CA2CA9
SCHEMBL4748024 0.90 CA1 (0.67) KMT2AGFERCA1CA2CA9
SCHEMBL4747965 0.88 KMT2A (0.56) KMT2AGFERCA1CA2CA9
SCHEMBL4743949 0.88 ALDH1A1 (0.64) KMT2AGFERCA1CA2CA9
SCHEMBL4743497 0.88 KMT2A (0.56) KMT2AGFERCA1CA2CA9
SCHEMBL4743907 0.87 KMT2A (0.55) KMT2AGFERCA1CA2CA9
SCHEMBL4747343 0.87 KMT2A (0.58) KMT2AGFERCA1CA2CA9
SCHEMBL4745883 0.87 KMT2A (0.55) KMT2AGFERCA1CA2CA9
SCHEMBL4743906 0.87 CA1 (0.57) KMT2AGFERCA1CA2CA9
SCHEMBL4745908 0.87 CA1 (0.63) KMT2AGFERCA1CA2CA9

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