SCHEMBL838276

SCHEMBL838276

Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Cc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 16/20 0.59
MAPT P10636 16/20 0.59
KMT2A Q03164 16/20 0.59
ALDH1A1 P00352 15/20 0.59
HPGD P15428 6/20 0.59
NPSR1 Q6W5P4 2/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.57
LMNA P02545 4/20 0.57
NPC1 O15118 1/20 0.57
CLK1 P49759 1/20 0.57
CYP2C19 P33261 7/20 0.56
CYP3A4 P08684 6/20 0.56
CYP2C9 P11712 5/20 0.56
MCL1 Q07820 3/20 0.56
POLB P06746 1/20 0.55
PI4KB Q9UBF8 1/20 0.54
CYP1A2 P05177 5/20 0.54
CYP2D6 P10635 3/20 0.54
KDM4E B2RXH2 4/20 0.53

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
SCHEMBL837705 0.82 MAPT (0.80) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL13993032 0.80 KMT2A (0.47) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL20463932 0.75 MEN1 (0.71) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL837865 0.75 MAPT (0.73) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL14109874 0.73 LMNA (0.47) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL15688998 0.71 MEN1 (0.87) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL4512505 0.71 MEN1 (1.00) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL837699 0.70 MEN1 (0.82) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL7144160 0.70 MAPT (0.53) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL5774803 0.69 MEN1 (1.00) MEN1MAPTKMT2AALDH1A1GAA

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-8143295-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-27 US disclosed