SCHEMBL6800359

SCHEMBL6800359

CS(=O)(=O)NCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
MAPK1 P28482 2/20 0.63
USP2 O75604 1/20 0.63
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 1/20 0.63
KMT2A Q03164 2/20 0.61
HTT P42858 2/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 3/20 0.58
PKM P14618 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TP53 P04637 1/20 0.54
PLA2G4B P0C869 2/20 0.53
RARB P10826 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL5724775 0.86 MAPT (0.68) KMT2AHTTMEN1ALDH1A1PKM
SCHEMBL6645317 0.82 PARP10 (0.54) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL9142888 0.82 MEN1 (0.79) KMT2AHTTMEN1ALDH1A1PKM
SCHEMBL10336962 0.80 ALDH1A1 (0.69) MAPK1KMT2AHTTMEN1ALDH1A1
SCHEMBL10191940 0.80 ALDH1A1 (0.65) TSHRKMT2AHTTMEN1ALDH1A1
SCHEMBL10065842 0.80 TSHR (0.71) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL3555970 0.80 NPC1 (0.61) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL10897781 0.79 ALDH1A1 (0.56) KMT2AHTTMEN1ALDH1A1PKM
SCHEMBL15426064 0.79 TSHR (0.69) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL14907058 0.79 MAPT (0.50) TSHRKMT2AHTTMEN1ALDH1A1

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 5 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
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 US disclosed
WO-1999012034-A1 AMINE COMPOUNDS AND COMBINATORIAL LIBRARIES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO disclosed