SCHEMBL30965874

SCHEMBL30965874

[N-]=[N+]=Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.54
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HTR1A P08908 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
ADRA2A P08913 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
DAO P14920 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AHR P35869 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MCL1 Q07820 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
SCHEMBL18321887 1.00 PDE2A (0.54) PDE2AALDH1A1MAPTHTR1AMEN1
SCHEMBL26915295 0.86 PDE2A (0.50) PDE2AALDH1A1MAPTHTR1AMEN1
SCHEMBL29755384 0.84 PDE2A (0.44) PDE2AHTR1ADAO
SCHEMBL18321910 0.84 PDE2A (0.44) PDE2AHTR1ADAO
SCHEMBL28745430 0.80 PDE2A (0.54) PDE2AMAPTHTR1A
SCHEMBL4635224 0.79 PDE2A (0.47) PDE2AALDH1A1MAPTMEN1KMT2A
SCHEMBL4635226 0.79 PDE2A (0.47) PDE2AALDH1A1MAPTMEN1KMT2A
SCHEMBL28770910 0.76 PDE2A (0.50) PDE2AHTR1ATSHR
SCHEMBL26915320 0.76 PDE2A (0.42) PDE2AHTR1AMEN1KMT2ATSHR
SCHEMBL8251778 0.76 PDE2A (0.44) PDE2AALDH1A1MAPTMEN1KMT2A

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-2024120378-A2 TRIAZOLE COMPOUNDS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-13 WO disclosed