SCHEMBL4743511

SCHEMBL4743511

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTR7 P34969 2/20 0.51
GFER P55789 4/20 0.50
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.46
CACNA1B Q00975 1/20 0.46
METAP1 P53582 1/20 0.45

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
SCHEMBL4744248 0.94 HTR7 (0.49) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4747346 0.94 KMT2A (0.53) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4743939 0.92 ALDH1A1 (0.61) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4743568 0.91 KMT2A (0.53) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL14069571 0.91 KMT2A (0.56) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4746786 0.91 KMT2A (0.62) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4747311 0.90 CA1 (0.54) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4747364 0.90 CA1 (0.50) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL14069174 0.90 KMT2A (0.44) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4746692 0.90 KMT2A (0.55) KMT2ACA1CA2CA9ALDH1A1

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