SCHEMBL19477449

SCHEMBL19477449

CC(C)(C)OC(=O)N1CCC(CNCC/N=C/Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ HPGD P15428 1/20 0.44
▸ RECQL P46063 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ GLS O94925 2/20 0.41
▸ BCDIN3D Q7Z5W3 1/20 0.41
▸ TGFBR1 P36897 3/20 0.41
▸ STS P08842 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ FPR3 P25089 1/20 0.40
▸ FPR2 P25090 1/20 0.40

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
SCHEMBL5573225 0.81 KDM4E (0.63) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL3581788 0.80 KDM4E (0.56) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL1238023 0.80 KDM4E (0.56) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL1244846 0.78 KDM4E (0.54) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL3023628 0.78 KDM4E (0.56) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL1244714 0.77 KDM4E (0.59) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL8255791 0.77 KDM4E (0.59) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL29238062 0.77 KDM4E (0.48) KDM4EPKMHPGDEPHX1KEAP1
SCHEMBL627965 0.76 KDM4E (0.60) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL24411175 0.76 KDM4E (0.54) KDM4EPKMHPGDRECQLEPHX1

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-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 — — WO disclosed
Send feedback