SCHEMBL9820253

SCHEMBL9820253

CCC(=S)S.O=C(ON1C(=O)CCC1=O)c1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
HSP90AA1 P07900 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HPGD P15428 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
MGLL Q99685 6/20 0.41
DDAH1 O94760 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4528176 0.87 HSP90AA1 (0.55) ALDH1A1HTTHSP90AA1NPSR1TDP1
SCHEMBL29189790 0.77 CA12 (0.61) ALDH1A1HPGDKMT2AMEN1MAPK1
SCHEMBL15991866 0.76 ALDH1A1 (0.50) ALDH1A1HTTHSP90AA1NPSR1TDP1
SCHEMBL15991987 0.76 ALDH1A1 (0.56) ALDH1A1HTTHSP90AA1NPSR1TDP1
SCHEMBL15991953 0.74 ALDH1A1 (0.48) ALDH1A1HTTHSP90AA1NPSR1TDP1
SCHEMBL300884 0.74 CA12 (0.42) ALDH1A1TDP1HPGDMGLLKMT2A
SCHEMBL15991754 0.74 ALDH1A1 (0.47) ALDH1A1HTTHSP90AA1NPSR1TDP1
SCHEMBL10328161 0.74 NSD2 (0.53) ALDH1A1HTTHSP90AA1NPSR1TDP1
SCHEMBL10328160 0.74 NSD2 (0.49) ALDH1A1HTTHSP90AA1NPSR1TDP1
SCHEMBL17071632 0.73 ALDH1A1 (0.47) ALDH1A1TDP1HPGDKMT2AMEN1

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-5073540-A Polypeptide sequence for regulating surface membrane receptor response, insulin, epidermal growth factor RECEPTRON (US) 1991-12-17 US disclosed