SCHEMBL10531908

SCHEMBL10531908

COC(=O)CN(CC(=O)OC)Cc1ccc(Cl)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.49
ALDH1A1 P00352 5/20 0.45
NR1D1 P20393 1/20 0.41
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.39
MEP1B Q16820 2/20 0.38
KDM4E B2RXH2 3/20 0.38
PTGS2 P35354 1/20 0.38
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL10531419 0.81 ALDH1A1 (0.40) ABL1ALDH1A1MAPTKDM4EGAA
SCHEMBL15075928 0.81 ABL1 (0.54) ABL1ALDH1A1MAPTKDM4EGAA
SCHEMBL21257568 0.81 ABL1 (0.40) ABL1ALDH1A1PKMMAPTMCOLN3
SCHEMBL10533223 0.78 NR1D1 (0.51) ALDH1A1NR1D1PKMMAPTPOLB
SCHEMBL12605962 0.74 MEP1B (0.41) ALDH1A1NR1D1MAPTMEP1BGAA
SCHEMBL16370082 0.72 SLC6A4 (0.58) ALDH1A1KDM4EGAAKMT2AHPGD
SCHEMBL26685333 0.72 ABL1 (0.50) ABL1ALDH1A1MAPTKDM4EGAA
SCHEMBL25346099 0.71 LMNA (0.46) ALDH1A1MAPTKDM4EGAAPOLB
SCHEMBL21257783 0.71 ALDH1A1 (0.39) ABL1ALDH1A1PKMMAPTMCOLN3
SCHEMBL29758099 0.71 CYP3A4 (0.54) ABL1ALDH1A1MAPTGAAPOLB

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-1989006980-A1 RADIOPHARMACEUTICALS UNIVERSITY OF QUEENSLAND (AU) 1989-08-10 WO claimed
WO-1989006980-A1 RADIOPHARMACEUTICALS UNIVERSITY OF QUEENSLAND (AU) 1989-08-10 WO disclosed