SCHEMBL4779852

SCHEMBL4779852

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1C(C)(C)Oc1cc(I)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ GABRA2 P47869 3/20 0.46
▸ GABRB2 P47870 3/20 0.46
▸ CNR1 P21554 4/20 0.45
▸ SLC5A1 P13866 1/20 0.44
▸ SLC5A2 P31639 1/20 0.44
▸ CNR2 P34972 6/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4728229 0.92 KDM4E (0.47) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL4727572 0.91 CNR1 (0.49) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL4782013 0.91 PDE4B (0.45) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL4729420 0.90 CNR1 (0.46) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL4876719 0.90 KDM4E (0.45) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL4726236 0.89 GABRA2 (0.47) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL4730476 0.88 CNR1 (0.45) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL4728992 0.88 CNR1 (0.45) KDM4EMEN1MAPTKMT2AMAPK1
SCHEMBL4730288 0.87 CNR2 (0.42) KDM4EMEN1MAPTKMT2ACNR1
SCHEMBL4784500 0.85 CNR1 (0.44) KDM4EMEN1MAPTKMT2AMAPK1

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 claimed
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