SCHEMBL16455201

SCHEMBL16455201

NCCCC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM1A O60341 3/20 0.47
CPB2 Q96IY4 1/20 0.47
F2 P00734 1/20 0.45
MTTP P55157 2/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
HPGDS O60760 1/20 0.43
CA2 P00918 1/20 0.43
SLC6A4 P31645 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 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
SCHEMBL16447419 0.90 MEN1 (0.51) MEN1HPGDTSHRKMT2AKDM1A
SCHEMBL16447416 0.90 MEN1 (0.51) MEN1HPGDTSHRKMT2AKDM1A
SCHEMBL16455179 0.89 KDM1A (0.48) KDM1ACA12CA1CA9CA2
SCHEMBL16455166 0.88 KDM1A (0.59) KDM1ACPB2
SCHEMBL16448250 0.85 MEN1 (0.49) MEN1HPGDTSHRKMT2AKDM1A
SCHEMBL16448249 0.85 MEN1 (0.49) MEN1HPGDTSHRKMT2AKDM1A
SCHEMBL18848693 0.85 KDM1A (0.61) KDM1ACA12CA1CA9CA2
SCHEMBL18848471 0.85 CTSB (0.57) HPGDKDM1ACPB2HPGDS
SCHEMBL18848704 0.84 KDM1A (0.54) KDM1A
SCHEMBL18848748 0.84 CTSB (0.58) HPGDKDM1ACPB2HPGDS

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