SCHEMBL5327274

SCHEMBL5327274

Cc1ccc(-c2nnc(SCC(=O)O)n2C2CCCCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.79
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 1/20 0.60
TSHR P16473 2/20 0.59
ADRB2 P07550 1/20 0.56
HPGD P15428 4/20 0.53
MDM2 Q00987 1/20 0.53
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL5334239 0.86 GAA (0.60) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL5329766 0.86 GAA (0.64) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL5333893 0.85 GAA (0.58) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL5422195 0.85 GAA (0.62) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL5335903 0.82 HPGD (0.76) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL5332292 0.78 GAA (0.58) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6411001 0.77 HTT (0.67) GAAMEN1KMT2ATSHRALOX15
SCHEMBL5338355 0.77 TSHR (0.59) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL5330985 0.76 TSHR (0.56) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL5332827 0.76 GAA (0.56) GAAMEN1KMT2AALDH1A1KDM4E

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-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO claimed
WO-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO disclosed