SCHEMBL8348289

SCHEMBL8348289

Cc1ccc(-n2c(CCC(=O)NCC(C)C)nnc2SCC2=CC=CC(C)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
USP2 O75604 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL8349668 0.87 ALDH1A1 (0.43) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL8350507 0.83 ALDH1A1 (0.35) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL4940624 0.78 GAA (0.47) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL8346767 0.78 ALDH1A1 (0.41) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL8349021 0.76 L3MBTL1 (0.49) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL8347977 0.76 ALDH1A1 (0.48) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL8347307 0.76 ALDH1A1 (0.41) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL8349062 0.75 ALDH1A1 (0.47) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL8348056 0.75 ALDH1A1 (0.43) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL6632090 0.75 ALDH1A1 (0.42) MEN1KMT2ALMNAALDH1A1L3MBTL1

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