SCHEMBL4447058

SCHEMBL4447058

CS(=O)(=O)N=C1NC(c2cccc(C(F)(F)F)c2)CN1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
SCN9A Q15858 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTSR1 P30989 1/20 0.34
CNR1 P21554 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL4444087 0.94 KMT2A (0.38) MAPTHTTLMNAKMT2AMEN1
SCHEMBL4436766 0.94 KMT2A (0.38) MAPTHTTLMNAKMT2AMEN1
SCHEMBL4440072 0.86 LMNA (0.39) MAPTHTTLMNASCN9AKMT2A
SCHEMBL4444360 0.84 LMNA (0.40) MAPTHTTLMNASCN9AKMT2A
SCHEMBL4439090 0.84 SCN9A (0.42) MAPTHTTLMNASCN9AKMT2A
SCHEMBL4437663 0.84 SCN9A (0.42) MAPTHTTLMNASCN9AKMT2A
SCHEMBL4439837 0.84 SCN9A (0.42) MAPTHTTLMNASCN9AKMT2A
SCHEMBL4437635 0.84 LMNA (0.35) MAPTHTTLMNASCN9AKMT2A
SCHEMBL4438948 0.81 LMNA (0.38) MAPTHTTLMNASCN9AKMT2A
SCHEMBL4435472 0.81 LMNA (0.38) MAPTHTTLMNASCN9AKMT2A

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
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed