SCHEMBL4436764

SCHEMBL4436764

CS(=O)(=O)/N=C1\NCC(c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CETP P11597 2/20 0.37
KDM1A O60341 1/20 0.36
CNR1 P21554 1/20 0.35
DRD2 P14416 1/20 0.34
MET P08581 1/20 0.34
HTR2C P28335 1/20 0.34
PIK3C3 Q8NEB9 2/20 0.34
CHRNA7 P36544 1/20 0.34
TP53 P04637 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL3589798 1.00 MEN1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3589801 1.00 MEN1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3589802 1.00 MEN1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3591654 0.94 HTT (0.36) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4447056 0.94 HTT (0.36) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3591649 0.94 HTT (0.36) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3591652 0.94 HTT (0.36) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL13185921 0.86 MEN1 (0.37) MEN1KMT2ANPSR1
SCHEMBL13168086 0.85 L3MBTL1 (0.35) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3582118 0.85 L3MBTL1 (0.35) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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 4 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 claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
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