SCHEMBL4745876

SCHEMBL4745876

O=C1CSC(c2ccccc2F)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
CA9 Q16790 4/20 0.61
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
MAPT P10636 1/20 0.56
KMT2A Q03164 4/20 0.50
GFER P55789 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTR7 P34969 2/20 0.49
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.47

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 0.86 MAPT (0.59) CA1CA2CA9MAPTKMT2A
SCHEMBL4743532 0.83 GFER (0.70) CA1CA2CA9KMT2AGFER
SCHEMBL4743929 0.82 GFER (0.53) CA1CA2CA9CYP1A2CYP3A4
SCHEMBL4745909 0.82 MAPT (0.60) CA1CA2CA9MAPTKMT2A
SCHEMBL4747309 0.81 HTR7 (0.72) CA1CA2CA9KMT2AGFER
SCHEMBL4743912 0.80 KMT2A (0.58) CA1CA2CA9KMT2AGFER
SCHEMBL4743528 0.80 KMT2A (0.74) CA1CA2CA9CYP3A4CYP2C19
SCHEMBL4743949 0.78 ALDH1A1 (0.64) CA1CA2CA9MAPTKMT2A
SCHEMBL4743497 0.78 KMT2A (0.56) CA1CA2CA9KMT2AGFER
SCHEMBL4743525 0.78 CA1 (0.56) CA1CA2CA9MAPTKMT2A

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 claimed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed