SCHEMBL8349639

SCHEMBL8349639

CCCNC(=O)CCCCc1nnc(SCC2=CC=CC(Cl)C2)n1CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 5/20 0.40
ALOX15 P16050 3/20 0.38
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALPG P10696 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
TSHR P16473 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
SCHEMBL8346474 0.92 KMT2A (0.42) KMT2AALDH1A1ALOX15MAPK1L3MBTL1
SCHEMBL8348259 0.90 MEN1 (0.42) KMT2AALDH1A1ALOX15MAPK1L3MBTL1
SCHEMBL8347347 0.86 HPGD (0.47) KMT2AALDH1A1ALOX15MAPK1MEN1
SCHEMBL8348963 0.80 ALDH1A1 (0.49) KMT2AALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL4944742 0.80 ALDH1A1 (0.49) KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4940157 0.80 LMNA (0.48) KMT2AALDH1A1MEN1GAANPSR1
SCHEMBL4947270 0.79 ALDH1A1 (0.48) KMT2AALDH1A1L3MBTL1MEN1NPSR1
SCHEMBL8347977 0.79 ALDH1A1 (0.48) KMT2AALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL8346767 0.78 ALDH1A1 (0.41) KMT2AALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL4944027 0.77 TP53 (0.45) KMT2AALDH1A1ALOX15MAPK1L3MBTL1

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