SCHEMBL20858882

SCHEMBL20858882

CCCCN(C)C(=O)c1ccc(S)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
HSP90AA1 P07900 3/20 0.39
PDK2 Q15119 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 1/20 0.38
KMT2A Q03164 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
SCHEMBL10330507 0.78 KMT2A (0.59) TSHRHPGDCYP1A2GAAHSP90AA1
SCHEMBL20862092 0.77 MAPT (0.32) TSHRHPGDCYP1A2GAACSNK2A2
SCHEMBL26178673 0.74 KMT2A (0.40) TSHRHPGDCYP1A2GAATHRA
SCHEMBL10330500 0.74 KMT2A (0.58) TSHRHPGDCYP1A2GAAHSP90AA1
SCHEMBL26730051 0.73 HCAR3 (0.46) TSHRCYP1A2THRATHRBPDK2
SCHEMBL14233766 0.71 ALDH1A1 (0.52) TSHRHPGDCYP1A2GAAPDK2
SCHEMBL9300210 0.71 PDK2 (0.47) TSHRHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL1003141 0.70 CSNK2A2 (0.45) TSHRHPGDCYP1A2GAACSNK2A2
SCHEMBL21891714 0.69 GAA (0.56) TSHRHPGDCYP1A2GAACSNK2A2
SCHEMBL16994787 0.69 SMN1; SMN2 (0.51) GAAHSP90AA1PDK2ALDH1A1NPC1

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
EP-3461815-B1 NOVEL POLY SULFONATED FLUORESCENCE DYES ATTO TEC GMBH (DE) 2021-03-03 EP disclosed
EP-3461815-A1 NOVEL POLY SULFONATED FLUORESCENCE DYES ATTO-TEC GmbH (DE) 2019-04-03 EP disclosed