SCHEMBL4745909

SCHEMBL4745909

Cc1cccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)c1C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 3/20 0.48
GFER P55789 2/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
METAP1 P53582 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4746811 0.91 MAPT (0.59) MAPTALDH1A1MAPK1KMT2AGFER
SCHEMBL4747930 0.87 MAPT (0.55) MAPTALDH1A1KMT2AGFERCA1
SCHEMBL4747936 0.84 MAPT (0.54) MAPTALDH1A1MAPK1KMT2AGFER
SCHEMBL4743925 0.82 MAPT (0.52) MAPTALDH1A1MAPK1KMT2AGFER
SCHEMBL4745876 0.82 CA1 (0.61) MAPTALDH1A1KMT2AGFERCA1
SCHEMBL4747343 0.80 KMT2A (0.58) MAPTALDH1A1KMT2AGFERCA1
SCHEMBL4747357 0.79 PTGS2 (0.61) ALDH1A1KMT2AGFERCA1CA2
SCHEMBL4743532 0.79 GFER (0.70) ALDH1A1KMT2AGFERCA1CA2
SCHEMBL4745925 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AGFERCA1CA2
SCHEMBL4744282 0.78 TUBB4A (0.55) MAPTALDH1A1KMT2AGFERCA1

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