SCHEMBL8209769

SCHEMBL8209769

C=S(C)(=O)c1ccc(N2C(=O)C3(CCN(C(=O)c4ccc5c(c4)OCCCO5)CC3)C2c2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CACNA1H O95180 8/20 0.40
HPGD P15428 4/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL12876128 0.94 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL8209593 0.88 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL14263426 0.87 CACNA1H (0.49) ALDH1A1TSHRLMNASMN1; SMN2KDM4E
SCHEMBL8209996 0.87 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL8202103 0.87 CACNA1H (0.45) ALDH1A1TSHRLMNASMN1; SMN2KDM4E
SCHEMBL12876080 0.86 ALDH1A1 (0.54) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL8202475 0.86 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL8202773 0.85 TRPV1 (0.47) ALDH1A1TSHRLMNASMN1; SMN2KDM4E
SCHEMBL12876090 0.85 CACNA1H (0.48) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL12877125 0.85 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TSHRLMNA

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-2008033464-A2 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF THE LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed