SCHEMBL6552425

SCHEMBL6552425

O=C(O)c1nc(Cc2ccccc2)c(Cc2ccccc2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.57
RNASEH1 O60930 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2C9 P11712 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CDC7 O00311 1/20 0.40
PARP1 P09874 2/20 0.39
AR P10275 1/20 0.39
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
HTR2C P28335 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6551997 0.85 PIN1 (0.45) LTB4RALDH1A1GAAKDM4EHSD17B10
SCHEMBL7044697 0.85 RHEB (0.45) LTB4RALDH1A1KDM4EKDM4C
SCHEMBL6553452 0.83 TDP1 (0.50) LTB4RALDH1A1KMT2ATSHR
SCHEMBL7047760 0.82 LTB4R (0.49) LTB4RALDH1A1GAAHSD17B10KMT2A
SCHEMBL22048694 0.80 LTB4R (0.50) LTB4RRNASEH1ALDH1A1HPGDGAA
SCHEMBL2943501 0.77 LTB4R (0.62) LTB4RALDH1A1HPGDGAAKDM4E
SCHEMBL6553813 0.76 MMP2 (0.48) LTB4RALDH1A1KDM4EKMT2ATSHR
SCHEMBL7042642 0.76 ALOX5 (0.57) LTB4RALDH1A1CYP2C9KMT2A
SCHEMBL6551978 0.75 HTT (0.49) LTB4RHTTPARP1
SCHEMBL7044700 0.75 SMN1; SMN2 (0.52) ALDH1A1HPGDKDM4EHTTHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482794-A1 METHOD OF TREATMENT OR PREVENTION OF OBESITY Merck & Co., Inc. (US) 2004-12-08 EP disclosed
WO-2003075660-A1 METHOD OF TREATMENT OR PREVENTION OF OBESITY MERCK & CO., INC. (US) 2003-09-18 WO disclosed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed