SCHEMBL18848713

SCHEMBL18848713

COC1=CCC([C@@H]2CC2(C)NCCOC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C(=O)N2CCCC2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 8/20 0.35
MTTP P55157 4/20 0.35
KDM1A O60341 3/20 0.34
TACR1 P25103 1/20 0.33
CYP3A4 P08684 7/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL18059491 0.79 KDM1A (0.39) UGCGMTTPKDM1AMEN1HPGD
SCHEMBL19466139 0.79 KDM1A (0.39) UGCGMTTPKDM1AMEN1HPGD
SCHEMBL23591855 0.75 KDM1A (0.35) UGCGMTTPKDM1ATACR1CYP3A4
SCHEMBL16455121 0.72 MEN1 (0.46) UGCGMTTPKDM1ATACR1CYP3A4
SCHEMBL18059507 0.71 KDM1A (0.46) KDM1AKMT2A
SCHEMBL18848608 0.71 KDM1A (0.46) KDM1AKMT2A
SCHEMBL18848473 0.68 KDM1A (0.49) KDM1ACYP3A4HPGDKMT2A
SCHEMBL18059520 0.68 KDM1A (0.49) KDM1ACYP3A4HPGDKMT2A
SCHEMBL18059490 0.68 KDM1A (0.44) KDM1AKMT2A
SCHEMBL18848438 0.68 KDM1A (0.44) KDM1AKMT2A

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-2017079753-A1 LYSINE-SPECIFIC HISTONE DEMETHYLASE AS A NOVEL THERAPEUTIC TARGET IN MYELOPROLIFERATIVE NEOPLASMS IMAGO BIOSCIENCES, INC. (US) 2017-05-11 WO disclosed