SCHEMBL4447056

SCHEMBL4447056

CS(=O)(=O)/N=C1\NCC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CETP P11597 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SCN9A Q15858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CFTR P13569 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
CNR1 P21554 1/20 0.33
PPARG P37231 3/20 0.33
KDM1A O60341 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
SCHEMBL3591654 1.00 HTT (0.36) HTTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3591649 1.00 HTT (0.36) HTTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3591652 1.00 HTT (0.36) HTTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3589798 0.94 MEN1 (0.39) HTTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3589801 0.94 MEN1 (0.39) HTTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3589802 0.94 MEN1 (0.39) HTTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4436764 0.94 MEN1 (0.39) HTTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL13185921 0.92 MEN1 (0.37) MEN1KMT2ANPSR1SCN9AL3MBTL1
SCHEMBL3582118 0.91 L3MBTL1 (0.35) HTTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3582116 0.91 L3MBTL1 (0.35) HTTMEN1KMT2ACYP1A2CYP3A4

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