SCHEMBL8414780

SCHEMBL8414780

COc1ccc(C(=O)Nc2ccncc2NC(=O)c2ccc(C(N)=S)cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 3/20 0.58
PKM P14618 2/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 3/20 0.57
PDE4D Q08499 3/20 0.53
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
POLB P06746 3/20 0.53
ABCB1 P08183 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7411821 1.00 ALDH1A1 (0.58) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL7411462 0.87 F10 (0.57) KMT2APKMMEN1POLBABCB1
SCHEMBL7407435 0.87 F10 (0.57) KMT2APKMMEN1POLBABCB1
SCHEMBL8414778 0.85 PDE4D (0.67) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL7413404 0.82 KMT2A (0.64) ALDH1A1KMT2APKMMEN1PDE4D
SCHEMBL8417461 0.82 KMT2A (0.64) ALDH1A1KMT2APKMMEN1PDE4D
SCHEMBL7411534 0.80 POLB (0.65) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL7408481 0.80 POLB (0.65) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL8417467 0.78 KMT2A (0.53) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL8414166 0.78 CHEK1 (0.51) ALDH1A1KMT2APKMMEN1LMNA

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-0937711-A1 Thiobenzamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP disclosed