SCHEMBL7044707

SCHEMBL7044707

CCOC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(Cc2ccccc2Cl)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.52
PTGES O14684 2/20 0.51
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR1 P21554 1/20 0.42
ALOX15 P16050 3/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39

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
SCHEMBL6553466 0.86 ALOX5 (0.51) ALOX5PTGESCDC7DBF4MAPT
SCHEMBL7044617 0.82 GABRA2 (0.47) ALOX5PTGESCDC7DBF4MAPT
SCHEMBL7041804 0.79 ALOX15 (0.47) ALOX5PTGESMAPTKDM4ESMN1; SMN2
SCHEMBL7045705 0.74 GABRA2 (0.46) ALOX5CDC7DBF4MAPTNPC1
SCHEMBL2871376 0.72 KDM4E (0.46) MAPTKDM4EPOLBSMN1; SMN2CNR1
SCHEMBL31305427 0.72 KDM4E (0.46) MAPTKDM4EPOLBSMN1; SMN2CNR1
SCHEMBL4468878 0.70 CSF1R (0.55) ALOX5CDC7DBF4MAPTKDM4E
SCHEMBL7044592 0.70 CDC7 (0.44) CDC7DBF4MAPTCNR1DPP4
SCHEMBL4466647 0.69 ADORA3 (0.52) CDC7DBF4MAPTKDM4ENPC1
SCHEMBL7044437 0.69 CNR1 (0.55) POLBCNR1ALOX15TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed