SCHEMBL6801495

SCHEMBL6801495

O=C(O)CCCc1cccc2sc(S)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.39
HDAC3 O15379 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL28522766 0.82 MEN1 (0.35) MEN1KMT2AALDH1A1MCL1
SCHEMBL9719205 0.80 MEN1 (0.37) MEN1KMT2AMAPK1ALDH1A1
SCHEMBL28831792 0.78 HTR1A (0.33) MEN1KMT2AALDH1A1
SCHEMBL28692977 0.77 KCNH2 (0.44) MEN1KMT2AALDH1A1MCL1
SCHEMBL11785097 0.77 KCNH2 (0.44) MEN1KMT2AALDH1A1MCL1
SCHEMBL6697206 0.76 MEN1 (0.39) SMN1; SMN2MEN1KMT2AMAPK1ALDH1A1
SCHEMBL1771923 0.76 MEN1 (0.50) SMN1; SMN2MEN1KMT2AMAPK1ALDH1A1
SCHEMBL8975933 0.76 MEN1 (0.38) SMN1; SMN2MEN1KMT2AMAPK1ALDH1A1
SCHEMBL4183533 0.72 MEN1 (0.32) MEN1KMT2A
SCHEMBL28541695 0.71 ALDH1A1 (0.36) SMN1; SMN2MEN1KMT2AMAPK1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed