SCHEMBL3835196

SCHEMBL3835196

N#Cc1cc(C#N)cc(Oc2cc(CC(=O)Nc3ccc(SCC(=O)O)cc3)ccc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RORC P51449 2/20 0.42
GAA P10253 2/20 0.39
FFAR1 O14842 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
EPHX2 P34913 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL2639011 0.91 RORC (0.42) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL3837011 0.88 NR1H4 (0.49) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL2639768 0.87 MAPT (0.47) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL2638078 0.86 LMNA (0.51) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL3836027 0.86 RORC (0.43) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL3218393 0.86 RORC (0.43) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL3835920 0.85 RORC (0.45) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL2640022 0.85 RORC (0.46) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL3836762 0.84 RORC (0.42) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL4604521 0.84 MAPT (0.44) MAPTMEN1KMT2AL3MBTL1LMNA

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
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP claimed