SCHEMBL17354708

SCHEMBL17354708

CCOC(=O)c1ccc(NC(=O)CSc2nc(CSc3ccc(C)cc3)cc(=O)[nH]2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.82
MAPT P10636 8/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
HPGD P15428 2/20 0.72
POLB P06746 2/20 0.72
RECQL P46063 2/20 0.72
HSD17B10 Q99714 2/20 0.72
USP2 O75604 1/20 0.72
ESR1 P03372 1/20 0.72
MCL1 Q07820 1/20 0.72
BAP1 Q92560 1/20 0.72
CTDSP1 Q9GZU7 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
TNF P01375 1/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
NOD2 Q9HC29 1/20 0.62
NOD1 Q9Y239 1/20 0.62
TP53 P04637 1/20 0.57

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
SCHEMBL17130651 0.82 MAPT (0.81) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL19425600 0.80 L3MBTL1 (0.76) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17130736 0.73 MAPT (0.78) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17624905 0.72 MAPT (0.74) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6721061 0.70 KMT2A (0.76) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17130743 0.70 POLB (0.61) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17130737 0.69 SMN1; SMN2 (0.66) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL30444288 0.69 MMP9 (1.00) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL17130734 0.68 KLK7 (0.73) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL19420129 0.68 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2AHPGD

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-9216180-B2 Pharmaceutical compositions and treatment of genetic diseases associated with nonsense mediated RNA decay NEW YORK UNIVERSITY (US) 2015-12-22 US disclosed