SCHEMBL4744263

SCHEMBL4744263

O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.58
GFER P55789 3/20 0.55
CACNA1B Q00975 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
METAP1 P53582 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL27881749 0.92 GFER (0.61) HTR7GFERCACNA1BPOLBKMT2A
SCHEMBL4743942 0.89 HTR7 (0.59) HTR7GFERCACNA1BKMT2AALDH1A1
SCHEMBL8103220 0.85 GFER (0.63) HTR7GFERCACNA1BPOLBKMT2A
SCHEMBL4743953 0.85 GFER (0.60) HTR7GFERCACNA1BKMT2AALDH1A1
SCHEMBL4746657 0.85 CA1 (0.57) HTR7GFERCACNA1BKMT2AALDH1A1
SCHEMBL4744306 0.84 HTR7 (0.53) HTR7GFERCACNA1BPOLBKMT2A
SCHEMBL4747970 0.84 KMT2A (0.61) HTR7GFERCACNA1BPOLBKMT2A
SCHEMBL4746692 0.84 KMT2A (0.55) HTR7GFERCACNA1BKMT2AALDH1A1
SCHEMBL4743566 0.83 HTR7 (0.55) HTR7GFERCACNA1BPOLBKMT2A
SCHEMBL4744293 0.82 GFER (0.56) HTR7GFERCACNA1BPOLBKMT2A

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