SCHEMBL20111408

SCHEMBL20111408

CCCCC(=O)NNCCNCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TSHR P16473 1/20 0.43
FAAH O00519 5/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CASP2 P42575 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6635259 0.84 HDAC3 (0.59) HDAC3MAPTKMT2AMEN1NPSR1
SCHEMBL6636483 0.81 MAPT (0.52) HDAC3MAPTKMT2AMEN1NPSR1
SCHEMBL6636541 0.80 CASP2 (0.53) HDAC3MAPTKMT2AMEN1NPSR1
SCHEMBL20111783 0.79 MEN1 (0.39) HDAC3MAPTKMT2AMEN1HDAC1
SCHEMBL5718051 0.79 HSP90AA1 (0.47) HDAC3MAPTKMT2AMEN1HDAC1
SCHEMBL15694051 0.76 KMT2A (0.65) MAPTKMT2AMEN1NPSR1FAAH
SCHEMBL4662735 0.76 HDAC3 (0.61) HDAC3MAPTKMT2AMEN1HDAC1
SCHEMBL2416986 0.76 HDAC3 (0.61) HDAC3MAPTKMT2AMEN1HDAC1
SCHEMBL6636306 0.76 HSP90AA1 (0.57) HDAC3MAPTKMT2AMEN1HDAC1
SCHEMBL6641767 0.76 HSP90AA1 (0.57) HDAC3MAPTKMT2AMEN1HDAC1

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-2018081530-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-05-03 WO disclosed