SCHEMBL14293229

SCHEMBL14293229

C#Cc1c(NC(=O)CC(C)c2ccccc2)sc2c1CCC(COC(=O)NCc1nccn1C)C2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.36
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 3/20 0.35
POLB P06746 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.35
MCL1 Q07820 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
RORC P51449 1/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.33
TSHR P16473 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
SCHEMBL1207170 0.94 ALDH1A1 (0.43) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL14292395 0.93 OPRK1 (0.39) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL12895474 0.90 RORC (0.35) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL14293511 0.89 ALDH1A1 (0.37) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL14292968 0.89 MAPT (0.38) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL1208820 0.86 ALDH1A1 (0.40) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL14293231 0.86 ALDH1A1 (0.43) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL14293466 0.84 MAPT (0.37) MAPTALDH1A1POLBTP53LMNA
SCHEMBL1208740 0.84 MAPT (0.42) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL14293225 0.83 RORC (0.39) MAPTALDH1A1MEN1POLBKMT2A

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
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO disclosed