SCHEMBL31540604

SCHEMBL31540604

CC(C)Oc1ccccc1-n1cnc2ccccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
POLB P06746 2/20 0.56
RAB9A P51151 3/20 0.49
USP5 P45974 1/20 0.47
NPC1 O15118 3/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.44
HCAR1 Q9BXC0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR1A P08908 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL30026518 0.82 HTT (0.49) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL31510248 0.82 POLB (0.55) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL31540594 0.81 BTK (0.44) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL31540612 0.81 KCNN4 (0.41) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL31439592 0.79 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL31540624 0.78 POLB (0.53) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL6753728 0.78 POLB (0.62) MEN1KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL31510272 0.78 POLB (0.59) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL31510234 0.78 POLB (0.59) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL31439465 0.77 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2MAPTHTT

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-119977942-A Quinazolinone derivative for inducing iron death as well as synthesis method and application thereof 西安交通大学 2025-05-13 CN disclosed