SCHEMBL32679860

SCHEMBL32679860

O=[N+]([O-])c1ccccc1Cc1cccc2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.67
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
TDP1 Q9NUW8 3/20 0.51
MDM4 O15151 1/20 0.51
NFKBIA P25963 1/20 0.51
OPRK1 P41145 1/20 0.51
MDM2 Q00987 1/20 0.51
RELA Q04206 1/20 0.51
SLC40A1 Q9NP59 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CASP1 P29466 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL949962 0.81 PDE10A (1.00) PDE10ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL8696468 0.81 NPC1 (0.70) PDE10ARAB9ANPC1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7965424 0.79 PDE10A (0.96) PDE10ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL301933 0.79 ALDH1A1 (0.69) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL5119326 0.78 PDE10A (0.60) PDE10ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL17997972 0.77 PDE10A (0.73) PDE10ARAB9ANPC1ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL10338964 0.77 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL28028248 0.76 PDE10A (0.57) PDE10ARAB9ANPC1ALDH1A1KDM4E
Quinoline SCHEMBL9110228 0.76 PDE10A (0.81) PDE10ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL18416514 0.75 PDE10A (0.75) PDE10ARAB9ANPC1ALDH1A1KDM4E

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
CN-121574101-A Preparation method and application of quinazoline compound 厦门大学 2026-02-27 CN disclosed