SCHEMBL14293249

SCHEMBL14293249

Cc1nocc1CNC(=O)OC1CCc2c(sc(NC(=O)CC(C)c3ccccc3)c2N)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 2/20 0.34
RAB9A P51151 3/20 0.33
MAPT P10636 4/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
P2RX7 Q99572 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12895371 0.93 KDM4E (0.35) RAB9AMAPTCYP3A4ALDH1A1
SCHEMBL12895374 0.91 THRB (0.35) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1208832 0.90 ALDH1A1 (0.43) MEN1KMT2AHPGDRAB9AMAPT
SCHEMBL14293242 0.89 MEN1 (0.36) MEN1KMT2ATSHRHPGDRAB9A
SCHEMBL14293234 0.87 HPGD (0.36) MEN1KMT2ATSHRHPGDRAB9A
SCHEMBL14293236 0.87 ALDH1A1 (0.30) ALDH1A1HTT
SCHEMBL12895260 0.86 MEN1 (0.35) MEN1KMT2ATSHRHPGDRAB9A
SCHEMBL14293206 0.86 ALDH1A1 (0.37) MEN1KMT2ATSHRHPGDRAB9A
SCHEMBL14293232 0.84 MEN1 (0.36) MEN1KMT2ATSHRHPGDRAB9A
SCHEMBL14292397 0.84 HPGD (0.37) MEN1KMT2ATSHRHPGDRAB9A

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