SCHEMBL8014161

SCHEMBL8014161

CCc1ccccc1Nc1ncc(SC)n(CC(=O)OC(C)(C)C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
JAK1 P23458 6/20 0.37
JAK3 P52333 6/20 0.37
JAK2 O60674 5/20 0.37
TYK2 P29597 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 2/20 0.34
TP53 P04637 2/20 0.34
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CCKBR P32239 1/20 0.33

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
SCHEMBL7374222 0.86 TP53 (0.39) ALDH1A1KDM4EJAK1JAK3JAK2
SCHEMBL3238629 0.71 F2 (0.46) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL7409106 0.70 MEN1 (0.41) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL8010575 0.69 GAA (0.42) ALDH1A1JAK1JAK3JAK2TYK2
SCHEMBL7410701 0.68 TP53 (0.37) ALDH1A1JAK1JAK3JAK2TYK2
SCHEMBL23460591 0.65 KDM4E (0.43) ALDH1A1KDM4EPOLBF2
SCHEMBL7220914 0.65 MEN1 (0.48) ALDH1A1KDM4EMEN1KMT2AF2
SCHEMBL948953 0.64 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL23461186 0.64 F2 (0.49) ALDH1A1KDM4EF2
SCHEMBL23461141 0.64 KDM4E (0.46) ALDH1A1KDM4EJAK1JAK3JAK2

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-6147078-A SERINE PROTEASE INHIBITOR MERCK & CO., INC. (US) 2000-11-14 US disclosed