SCHEMBL4743532

SCHEMBL4743532

O=C1CSC(c2ccccc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.70
ALDH1A1 P00352 2/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HTR7 P34969 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
SCHEMBL4743949 0.92 ALDH1A1 (0.64) GFERALDH1A1HTTNPSR1CA1
SCHEMBL4746660 0.90 ALDH1A1 (0.59) GFERALDH1A1HTTNPSR1CA1
SCHEMBL4748024 0.89 CA1 (0.67) GFERALDH1A1HTTNPSR1CA1
SCHEMBL4747947 0.88 GFER (0.72) GFERALDH1A1CA1CA2CA9
SCHEMBL4745920 0.88 CA1 (0.60) GFERALDH1A1HTTNPSR1CA1
SCHEMBL4747357 0.88 PTGS2 (0.61) GFERALDH1A1CA1CA2CA9
SCHEMBL4747309 0.88 HTR7 (0.72) GFERCA1CA2CA9KMT2A
SCHEMBL4743525 0.87 CA1 (0.56) GFERALDH1A1HTTNPSR1CA1
SCHEMBL4747965 0.87 KMT2A (0.56) GFERALDH1A1HTTNPSR1CA1
SCHEMBL4745883 0.86 KMT2A (0.55) GFERALDH1A1HTTNPSR1CA1

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