SCHEMBL14293234

SCHEMBL14293234

Cc1oncc1CNC(=O)OC1CCc2c(sc(NC(=O)CC(C)c3ccccc3)c2N)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TAS2R8 Q9NYW2 1/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
P2RX7 Q99572 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12895477 0.93 KDM4E (0.35) MAPTALDH1A1RAB9AKDM4ECYP3A4
SCHEMBL1209025 0.90 ALDH1A1 (0.44) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL14293249 0.87 MEN1 (0.35) HPGDTSHRMEN1KMT2ATAS2R8
SCHEMBL14292397 0.87 HPGD (0.37) HPGDTSHRMEN1KMT2AMAPT
SCHEMBL14293206 0.86 ALDH1A1 (0.37) HPGDTSHRMEN1KMT2AMAPT
SCHEMBL12895260 0.85 MEN1 (0.35) HPGDTSHRMEN1KMT2AMAPT
SCHEMBL14293232 0.84 MEN1 (0.36) HPGDTSHRMEN1KMT2AMAPT
SCHEMBL1209641 0.83 ALDH1A1 (0.40) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL14292411 0.82 MAPT (0.38) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL14292979 0.82 HPGD (0.53) HPGDTSHRMAPTALDH1A1LMNA

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