SCHEMBL8348259

SCHEMBL8348259

CC(C)CNC(=O)CCCCc1nnc(SCC2=CC=CC(Cl)C2)n1CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 3/20 0.38
MAPK1 P28482 3/20 0.38
PDE6D O43924 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
ALPG P10696 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.36
DAGLA Q9Y4D2 2/20 0.36
RAD51 Q06609 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8349639 0.90 KMT2A (0.41) MEN1KMT2AALDH1A1ALOX15MAPK1
SCHEMBL8346767 0.88 ALDH1A1 (0.41) MEN1KMT2AHPGDALDH1A1MAPK1
SCHEMBL8347347 0.86 HPGD (0.47) MEN1KMT2AHPGDALDH1A1ALOX15
SCHEMBL8349053 0.82 MEN1 (0.42) MEN1KMT2AHPGDATMALDH1A1
SCHEMBL8346474 0.82 KMT2A (0.42) MEN1KMT2AHPGDALDH1A1ALOX15
SCHEMBL4947206 0.80 ALDH1A1 (0.49) MEN1KMT2AHPGDATMALDH1A1
SCHEMBL4944189 0.80 HPGD (0.48) MEN1KMT2AHPGDATMALDH1A1
SCHEMBL4945525 0.80 HPGD (0.48) MEN1KMT2AHPGDATMALDH1A1
SCHEMBL8348963 0.80 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL8349668 0.79 ALDH1A1 (0.43) MEN1KMT2AHPGDALDH1A1MAPK1

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-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO disclosed