SCHEMBL20079622

SCHEMBL20079622

NCC(=O)CCCCCNC(=S)Nc1ccc(C[C@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CA2 P00918 8/20 0.38
CA1 P00915 7/20 0.38
LMNA P02545 2/20 0.38
CA9 Q16790 3/20 0.34
FOLH1 Q04609 1/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33

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
SCHEMBL17325863 0.89 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1CA2
SCHEMBL20079589 0.88 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1CA2
SCHEMBL21554140 0.87 LMNA (0.42) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL13224653 0.85 LMNA (0.45) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL15765285 0.81 CA2 (0.36) ALDH1A1MAPTKMT2AMEN1CA2
SCHEMBL17322684 0.81 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1CA2
SCHEMBL13527700 0.80 HDAC1 (0.42) CA2CA1CA9FOLH1HDAC1
SCHEMBL12934853 0.80 CA1 (0.42) CA2CA1CA9HDAC1HDAC6
SCHEMBL119010 0.79 LMNA (0.44) ALDH1A1MAPTKMT2AMEN1CA2
SCHEMBL23298428 0.79 CA1 (0.42) CA2CA1CA9CA12CA4

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
US-9950083-B2 Polypeptide and imaging method KYOTO UNIVERSITY (JP) 2018-04-24 US disclosed