SCHEMBL4744293

SCHEMBL4744293

O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(I)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.56
HTR7 P34969 2/20 0.56
KMT2A Q03164 1/20 0.53
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
ALDH1A1 P00352 3/20 0.50
CACNA1B Q00975 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 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
SCHEMBL4743953 0.91 GFER (0.60) GFERHTR7KMT2ACA1CA2
SCHEMBL4746657 0.88 CA1 (0.57) GFERHTR7KMT2ACA1CA2
SCHEMBL4743942 0.88 HTR7 (0.59) GFERHTR7KMT2ACA1CA2
SCHEMBL27881749 0.88 GFER (0.61) GFERHTR7KMT2ACA1CA2
SCHEMBL4743928 0.85 HTR7 (0.56) GFERHTR7KMT2ACA1CA2
SCHEMBL4747274 0.85 HTR7 (0.53) GFERHTR7KMT2ACA1CA2
SCHEMBL4747360 0.85 HTR7 (0.56) GFERHTR7KMT2ACA1CA2
SCHEMBL4747311 0.85 CA1 (0.54) GFERHTR7KMT2ACA1CA2
SCHEMBL4747942 0.85 KMT2A (0.74) GFERHTR7KMT2AALDH1A1SMN1; SMN2
SCHEMBL4743939 0.84 ALDH1A1 (0.61) GFERHTR7KMT2ACA1CA2

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