SCHEMBL8417467

SCHEMBL8417467

COC(=O)c1cnc(NC(=O)c2ccc(OC)c(OC)c2)c(NC(=O)c2ccc(C(N)=S)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
BRD4 O60885 1/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
PDE4D Q08499 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHEK1 O14757 1/20 0.46
PIM1 P11309 1/20 0.46
MAPK8 P45983 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
PKM P14618 3/20 0.46
MEN1 O00255 2/20 0.46
F10 P00742 1/20 0.46
RAB9A P51151 2/20 0.45

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
SCHEMBL8414166 0.92 CHEK1 (0.51) KMT2AKDM4EPOLBALDH1A1BRD4
SCHEMBL7407271 0.89 F10 (0.51) KMT2AKDM4EPOLBALDH1A1HPGD
SCHEMBL7410953 0.85 ALDH1A1 (0.47) KMT2AKDM4EPOLBALDH1A1MAPT
SCHEMBL7411534 0.83 POLB (0.65) KMT2AKDM4EPOLBALDH1A1BRD4
SCHEMBL7408481 0.83 POLB (0.65) KMT2AKDM4EPOLBALDH1A1BRD4
SCHEMBL7413373 0.82 CREBBP (0.44) KMT2AKDM4EPOLBALDH1A1HPGD
SCHEMBL8415821 0.81 KDM4E (0.53) KMT2AKDM4EPOLBALDH1A1HPGD
SCHEMBL7411939 0.81 MEN1 (0.60) KMT2AMAPTPKMMEN1F10
SCHEMBL8414778 0.79 PDE4D (0.67) KMT2AKDM4EPOLBALDH1A1MAPT
SCHEMBL7413404 0.78 KMT2A (0.64) KMT2AKDM4EALDH1A1MAPTPDE4D

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