SCHEMBL5611545

SCHEMBL5611545

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.42
DHFR P00374 4/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PIM1 P11309 3/20 0.38
CSNK2A2 P19784 3/20 0.38
CSNK2B P67870 3/20 0.38
PIM3 Q86V86 3/20 0.38
PIM2 Q9P1W9 3/20 0.38
CNR1 P21554 4/20 0.37
HSD11B1 P28845 1/20 0.36
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MDM2 Q00987 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL4750784 0.88 DHFR (0.53) GUSBDHFRHPGDKMT2AMEN1
SCHEMBL5612482 0.86 GUSB (0.41) GUSBDHFRHPGDKMT2AMEN1
SCHEMBL5611856 0.84 GUSB (0.45) GUSBDHFRHPGDKMT2AMEN1
SCHEMBL5611766 0.84 GUSB (0.42) GUSBHPGDKMT2AMEN1LMNA
SCHEMBL5612557 0.83 DHFR (0.41) GUSBDHFRHPGDKMT2AMEN1
SCHEMBL5611811 0.82 DHFR (0.61) GUSBDHFRHPGDKMT2AMEN1
SCHEMBL5611783 0.82 CYP1A2 (0.43) GUSBDHFRLMNAPIM1CSNK2A2
SCHEMBL5611690 0.81 HPGD (0.43) GUSBDHFRHPGDKMT2AMEN1
SCHEMBL5612460 0.80 GUSB (0.43) GUSBDHFRHPGDKMT2AMEN1
SCHEMBL5611669 0.80 DHFR (0.51) GUSBDHFRHPGDLMNAALDH1A1

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