SCHEMBL4745925

SCHEMBL4745925

Cc1ccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
GFER P55789 3/20 0.53
HTR7 P34969 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50

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
SCHEMBL4747357 0.87 PTGS2 (0.61) ALDH1A1CA1CA2CA9GFER
SCHEMBL4744282 0.86 TUBB4A (0.55) ALDH1A1HTTNPSR1CA1CA2
SCHEMBL4747343 0.85 KMT2A (0.58) ALDH1A1HTTNPSR1CA1CA2
SCHEMBL4747947 0.85 GFER (0.72) ALDH1A1CA1CA2CA9GFER
SCHEMBL4743525 0.84 CA1 (0.56) ALDH1A1HTTNPSR1CA1CA2
SCHEMBL4747367 0.84 TUBB4A (0.62) ALDH1A1HTTNPSR1CA1CA2
SCHEMBL4748024 0.84 CA1 (0.67) ALDH1A1HTTNPSR1CA1CA2
SCHEMBL4745883 0.83 KMT2A (0.55) ALDH1A1HTTNPSR1CA1CA2
SCHEMBL4743925 0.83 MAPT (0.52) ALDH1A1HTTNPSR1CA1CA2
SCHEMBL4743510 0.83 TUBB4A (0.63) ALDH1A1HTTNPSR1CA1CA2

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