SCHEMBL16455121

SCHEMBL16455121

NCCOC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
MTTP P55157 6/20 0.42
UGCG Q16739 4/20 0.40
CYP3A4 P08684 3/20 0.40
TACR1 P25103 1/20 0.40
KDM1A O60341 1/20 0.40
SLC6A4 P31645 1/20 0.39
EPHX2 P34913 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
SCHEMBL16455120 0.90 UGCG (0.49) UGCGCYP3A4KDM1AEPHX2
SCHEMBL16455198 0.89 KDM1A (0.48) UGCGKDM1A
SCHEMBL16455068 0.84 KDM1A (0.46) MEN1HPGDKMT2AKDM1A
SCHEMBL16455201 0.81 MEN1 (0.50) MEN1HPGDTSHRKMT2AMTTP
SCHEMBL16455175 0.79 UGCG (0.50) UGCGKDM1A
SCHEMBL20781661 0.79 KDM1A (0.44) MEN1KMT2AKDM1AEPHX2
SCHEMBL16455032 0.79 MEN1 (0.50) MEN1HPGDTSHRKMT2AMTTP
SCHEMBL16455122 0.76 UGCG (0.51) KMT2AUGCGCYP3A4
SCHEMBL18848618 0.76 KMT2A (0.51) KMT2AUGCGCYP3A4KDM1A
SCHEMBL18848470 0.76 HPGD (0.47) MEN1HPGDTSHRKMT2AMTTP

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 2 patents. 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
WO-2015021128-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC. (US) 2015-02-12 WO disclosed