SCHEMBL14565752

SCHEMBL14565752

O=CNC1CCCN(S(=O)(=O)N2CCCC2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
TSHR P16473 3/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 10/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL14565751 0.86 TSHR (0.36) POLBTSHRKMT2AALDH1A1LMNA
SCHEMBL14565729 0.78 PKM (0.46) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL14565738 0.75 KMT2A (0.48) TSHRKMT2AALDH1A1L3MBTL1LMNA
SCHEMBL14565744 0.74 PKM (0.49) POLBTSHRKMT2AALDH1A1L3MBTL1
SCHEMBL14565734 0.73 CTSK (0.49)
SCHEMBL14565737 0.73 RAB9A (0.47) POLBTSHRKMT2AL3MBTL1MAPK1
SCHEMBL14565745 0.73 CCND1 (0.35) TSHRKMT2AALDH1A1L3MBTL1LMNA
SCHEMBL14565753 0.73 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL14565740 0.73 ATM (0.47) TSHRALDH1A1L3MBTL1CYP3A4CYP2C9
SCHEMBL5445430 0.72 POLB (0.43) POLBTSHRKMT2AALDH1A1L3MBTL1

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
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US disclosed