SCHEMBL8487692

SCHEMBL8487692

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2ccnc2)cc1SC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PLEC Q15149 1/20 0.34
HTT P42858 1/20 0.33
HCRTR2 O43614 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL8487700 0.90 PDE4A (0.47) KMT2AKDM4EMEN1MITFALDH1A1
SCHEMBL8491746 0.88 ALDH1A1 (0.40) KMT2AKDM4EMEN1MITFALDH1A1
SCHEMBL8525770 0.86 HCRTR2 (0.41) KMT2AMEN1ALDH1A1HTTHCRTR2
SCHEMBL8491830 0.86 NR1H4 (0.40) KMT2AKDM4EMEN1MITFALDH1A1
SCHEMBL8490079 0.85 KDM4E (0.38) KMT2AKDM4EMEN1MITFALDH1A1
SCHEMBL8490872 0.85 KDM4E (0.33) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL8524135 0.85 SMN1; SMN2 (0.39) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL8488620 0.84 NPC1 (0.35) KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2
SCHEMBL8492214 0.84 KDM4E (0.37) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL8492485 0.82 LMNA (0.34) KMT2AKDM4EMEN1MITFALDH1A1

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-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed