SCHEMBL13714545

SCHEMBL13714545

Cc1ccc(CNC(=S)NCCSSCCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
ALOX12 P18054 2/20 0.45
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL13714461 0.91 HDAC3 (0.47) POLBMEN1KMT2AHDAC3HDAC4
SCHEMBL13714516 0.88 HDAC3 (0.45) POLBMEN1KMT2AHDAC3HDAC4
SCHEMBL7802158 0.75 MEN1 (0.53) POLBMEN1KMT2AMAPTGAA
SCHEMBL343199 0.73 MEN1 (0.47) POLBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5326701 0.71 HTT (0.70) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL3662909 0.70 SMN1; SMN2 (0.71) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL3207348 0.70 S1PR1 (0.60) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL20496869 0.69 LMNA (0.54) POLBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL29257728 0.69 SMN1; SMN2 (0.58) POLBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL12069261 0.68 MEN1 (0.86) POLBMEN1KMT2ASMN1; SMN2MAPT

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-7579165-B2 Methods for derivatizing protein or peptide with sulfonic acid groups SHIMADZU CORPORATION (JP) 2009-08-25 US disclosed