SCHEMBL5338974

SCHEMBL5338974

Cc1ccc(-c2nnc(SC(C)(C)C(=O)NN)n2C2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRB2 P07550 1/20 0.42
HPGD P15428 5/20 0.41
MDM2 Q00987 1/20 0.41
ACVR2A P27037 1/20 0.37
TGFBR2 P37173 1/20 0.37

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
SCHEMBL5474377 0.83 GAA (0.49) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5327156 0.81 MEN1 (0.52) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5329766 0.80 GAA (0.64) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5422195 0.79 GAA (0.62) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5327274 0.75 GAA (0.79) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5334239 0.72 GAA (0.60) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5338355 0.71 TSHR (0.59) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5330985 0.71 TSHR (0.56) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5333893 0.70 GAA (0.58) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5435550 0.68 HPGD (0.42) GAAALDH1A1KDM4EMEN1KMT2A

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