SCHEMBL19981015

SCHEMBL19981015

CCCC(=O)Nc1cc(NCCOC)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.48
TP53 P04637 1/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC3 O15379 4/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CDYL Q9Y232 1/20 0.41
PKM P14618 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
TERT O14746 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL18256223 0.73 HDAC3 (0.52) HDAC1HDAC3LMNAHDAC2NCOR2
SCHEMBL9506673 0.72 PTGER4 (0.40) PTGER4LMNAALDH1A1MAPT
SCHEMBL19980987 0.71 MTNR1B (0.35) PTGER4HDAC1HDAC3LMNAALDH1A1
SCHEMBL28044046 0.70 MTNR1B (0.56) TP53LMNAALDH1A1CDYLMAPT
SCHEMBL20266373 0.70 PTGER4 (0.64) PTGER4HDAC1ALDH1A1MAPT
SCHEMBL6334634 0.70 ALDH1A1 (0.45) PTGER4LMNAALDH1A1MAPTHTT
SCHEMBL17845272 0.69 PTGER4 (0.49) PTGER4HDAC1HDAC3LMNAALDH1A1
SCHEMBL31122067 0.69 PTGER4 (0.49) PTGER4HDAC1HDAC3LMNAALDH1A1
SCHEMBL11227767 0.69 HDAC1 (0.50) HDAC1HDAC3ALDH1A1HDAC2NCOR2
SCHEMBL855211 0.69 PTGER4 (0.51) PTGER4TP53HDAC1LMNAALDH1A1

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
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed