SCHEMBL4782013

SCHEMBL4782013

CCOC(=O)c1nn(-c2ccccc2Cl)c2c1C(C)(C)Oc1cc(I)ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.45
▸ PDE4A P27815 3/20 0.42
▸ PDE4C Q08493 3/20 0.42
▸ PDE4D Q08499 3/20 0.42
▸ MEN1 O00255 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ HPGD P15428 2/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL4779852 0.91 KDM4E (0.48) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL4783366 0.87 RIPK1 (0.35) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4728992 0.85 CNR1 (0.45) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL4726236 0.84 GABRA2 (0.47) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL4729482 0.83 SMN1; SMN2 (0.41) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4728229 0.83 KDM4E (0.47) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL4729420 0.83 CNR1 (0.46) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL4727572 0.82 CNR1 (0.49) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL4876719 0.81 KDM4E (0.45) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL4730476 0.80 CNR1 (0.45) MEN1MAPTKMT2AKDM4EMAPK1

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-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 — — WO disclosed
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