SCHEMBL16455182

SCHEMBL16455182

NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.53
TGM2 P21980 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PHGDH O43175 1/20 0.44

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
SCHEMBL16455163 0.89 KDM1A (0.53) KDM1ATGM2PHGDH
SCHEMBL16455166 0.88 KDM1A (0.59) KDM1ATGM2
SCHEMBL16455199 0.88 KMT2A (0.49) TGM2ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL18848468 0.88 CTSB (0.55) KDM1AMEN1ALDH1A1MAPTKMT2A
SCHEMBL18848622 0.87 KMT2A (0.43) KDM1ATGM2MEN1MAPTKMT2A
SCHEMBL16447253 0.86 KDM1A (0.53) KDM1A
SCHEMBL18848746 0.86 KDM1A (0.58) KDM1A
SCHEMBL16447254 0.86 KDM1A (0.53) KDM1A
SCHEMBL16455202 0.85 KDM1A (0.65) KDM1A
SCHEMBL18848757 0.84 KDM1A (0.66) KDM1ATGM2

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