SCHEMBL16455166

SCHEMBL16455166

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

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.59
CPB2 Q96IY4 1/20 0.48
ALOX5 P09917 1/20 0.48
TGM2 P21980 1/20 0.48

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
SCHEMBL18043477 0.89 KDM1A (0.60) KDM1AALOX5TGM2
SCHEMBL16447169 0.89 KDM1A (0.60) KDM1AALOX5TGM2
SCHEMBL16455201 0.88 MEN1 (0.50) KDM1ACPB2
SCHEMBL16455182 0.88 KDM1A (0.53) KDM1ATGM2
SCHEMBL18848746 0.88 KDM1A (0.58) KDM1A
SCHEMBL16455202 0.87 KDM1A (0.65) KDM1A
SCHEMBL18848471 0.87 CTSB (0.57) KDM1ACPB2
SCHEMBL18848757 0.86 KDM1A (0.66) KDM1ATGM2
SCHEMBL18848748 0.86 CTSB (0.58) KDM1ACPB2
SCHEMBL22856674 0.85 KDM1A (0.59) 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 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