SCHEMBL16455184

SCHEMBL16455184

CNCCCC[C@H](NC(=O)c1ccc(F)cc1F)C(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
KMT2A Q03164 2/20 0.44
KDM1A O60341 9/20 0.43
TGM2 P21980 5/20 0.43
BCL3 P20749 1/20 0.43
CNR1 P21554 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 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
SCHEMBL18848622 0.89 KMT2A (0.43) KMT2AKDM1ATGM2BCL3CNR1
SCHEMBL18848623 0.79 KDM1A (0.44) KDM1ATGM2
SCHEMBL18059540 0.79 KDM1A (0.44) KDM1ATGM2
SCHEMBL16455182 0.76 KDM1A (0.53) KMT2AKDM1ATGM2MEN1
SCHEMBL20924673 0.73 KDM1A (0.51) KDM1A
SCHEMBL16455163 0.72 KDM1A (0.53) KDM1ATGM2
SCHEMBL16447253 0.72 KDM1A (0.53) KDM1A
SCHEMBL16447254 0.72 KDM1A (0.53) KDM1A
SCHEMBL16447279 0.71 KDM1A (0.51) KDM1A
SCHEMBL16447281 0.71 KDM1A (0.51) KDM1A

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