SCHEMBL16197271

SCHEMBL16197271

CCc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.82
L3MBTL1 Q9Y468 2/20 0.82
KDM4E B2RXH2 1/20 0.82
GLA P06280 1/20 0.82
ALDH1A1 P00352 6/20 0.80
GAA P10253 2/20 0.80
FKBP4 Q02790 1/20 0.80
FKBP5 Q13451 1/20 0.80
MAPT P10636 2/20 0.79
TP53 P04637 1/20 0.79
PPARG P37231 1/20 0.77
NCOA2 Q15596 1/20 0.77
NCOA1 Q15788 1/20 0.77
PKM P14618 4/20 0.76
RECQL P46063 1/20 0.76
NPSR1 Q6W5P4 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 1/20 0.67
LMNA P02545 1/20 0.67
KMT2A Q03164 1/20 0.67

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
SCHEMBL16197098 0.91 USP2 (0.98) USP2L3MBTL1KDM4EGLAALDH1A1
SCHEMBL16197287 0.90 ALDH1A1 (0.78) USP2L3MBTL1KDM4EGLAALDH1A1
SCHEMBL16197212 0.89 ALDH1A1 (0.83) USP2L3MBTL1KDM4EGLAALDH1A1
SCHEMBL16197021 0.89 USP2 (0.81) USP2L3MBTL1KDM4EGLAALDH1A1
SCHEMBL16197341 0.88 USP2 (0.83) USP2L3MBTL1KDM4EGLAALDH1A1
SCHEMBL16197439 0.87 ALDH1A1 (0.79) USP2L3MBTL1KDM4EGLAALDH1A1
SCHEMBL16197389 0.87 ALDH1A1 (0.82) USP2L3MBTL1KDM4EGLAALDH1A1
SCHEMBL16197300 0.86 PPARG (0.79) USP2L3MBTL1KDM4EGLAALDH1A1
SCHEMBL16197441 0.84 ALDH1A1 (1.00) USP2L3MBTL1KDM4EGLAALDH1A1
SCHEMBL16197523 0.82 ALDH1A1 (0.81) USP2L3MBTL1KDM4EGLAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014173904-A1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY VIB VZW (BE) 2014-10-30 WO disclosed
WO-2014173904-A1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY VIB VZW (BE) 2014-10-30 WO disclosed