SCHEMBL5612482

SCHEMBL5612482

O=c1[nH]c(-c2ccc(Cl)cc2Cl)nc2c1nc(-c1ccc(Cl)cc1)n2-c1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.41
PIM1 P11309 2/20 0.38
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 1/20 0.35
GCGR P47871 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHFR P00374 3/20 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
SCHEMBL5611856 0.87 GUSB (0.45) GUSBPIM1CSNK2A2CSNK2BPIM3
SCHEMBL5611545 0.86 GUSB (0.42) GUSBPIM1CSNK2A2CSNK2BPIM3
SCHEMBL5612074 0.84 GUSB (0.41) GUSBPIM1CSNK2A2CSNK2BPIM3
SCHEMBL5612460 0.82 GUSB (0.43) GUSBPIM1CSNK2A2CSNK2BPIM3
SCHEMBL4750784 0.82 DHFR (0.53) GUSBPIM1CSNK2A2CSNK2BPIM3
SCHEMBL5611677 0.80 PDE5A (0.42) GUSBMEN1LMNAGAAHPGD
SCHEMBL1688987 0.79 GUSB (0.43) GUSBPIM1CSNK2A2CSNK2BPIM3
SCHEMBL5611661 0.79 TNKS (0.39) GUSBPIM1CSNK2A2CSNK2BPIM3
SCHEMBL5612557 0.78 DHFR (0.41) GUSBPIM1CSNK2A2CSNK2BPIM3
SCHEMBL5611811 0.77 DHFR (0.61) GUSBPIM1CSNK2A2CSNK2BPIM3

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