SCHEMBL5612460

SCHEMBL5612460

O=c1[nH]c(-c2ccc(Cl)cc2Cl)nc2c1nc(-c1ccc(Cl)cc1)n2-c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.43
HSD11B1 P28845 1/20 0.40
MDM2 Q00987 3/20 0.39
HCAR1 Q9BXC0 3/20 0.39
IDH1 O75874 1/20 0.37
KDM4E B2RXH2 2/20 0.37
DHFR P00374 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
PIM1 P11309 3/20 0.36
CSNK2A2 P19784 3/20 0.36
CSNK2B P67870 3/20 0.36
PIM3 Q86V86 3/20 0.36
PIM2 Q9P1W9 3/20 0.36
PTGES O14684 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5611856 0.84 GUSB (0.45) GUSBHSD11B1DHFRMEN1LMNA
SCHEMBL4750784 0.83 DHFR (0.53) GUSBHSD11B1MDM2KDM4EDHFR
SCHEMBL1688987 0.83 GUSB (0.43) GUSBHSD11B1DHFRMEN1LMNA
SCHEMBL5612482 0.82 GUSB (0.41) GUSBHSD11B1KDM4EDHFRMEN1
SCHEMBL5611677 0.81 PDE5A (0.42) GUSBIDH1DHFRMEN1LMNA
SCHEMBL5611545 0.80 GUSB (0.42) GUSBHSD11B1MDM2KDM4EDHFR
SCHEMBL5611811 0.78 DHFR (0.61) GUSBKDM4EDHFRMEN1LMNA
SCHEMBL5611661 0.77 TNKS (0.39) GUSBHSD11B1DHFRMEN1LMNA
SCHEMBL5611783 0.76 CYP1A2 (0.43) GUSBDHFRLMNAPIM1CSNK2A2
SCHEMBL5612557 0.76 DHFR (0.41) GUSBHSD11B1MDM2DHFRMEN1

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-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO disclosed