SCHEMBL30128569

SCHEMBL30128569

COc1cc(CCn2cnc3ccccc3c2=O)ccn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
LMNA P02545 4/20 0.50
POLB P06746 4/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.49
MMP13 P45452 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL30128747 0.84 MAPK1 (0.51) KMT2ALMNAPOLBRAB9AMEN1
SCHEMBL30128811 0.84 SMN1; SMN2 (0.51) KMT2ALMNAPOLBRAB9AMEN1
SCHEMBL30128766 0.82 MAPT (0.50) KMT2ALMNAPOLBRAB9AMAPT
SCHEMBL30128797 0.82 POLB (0.48) KMT2ALMNAPOLBRAB9AMEN1
SCHEMBL28389854 0.80 SMN1; SMN2 (0.53) LMNAPOLBRAB9ANPC1GAA
SCHEMBL16220985 0.79 GRK2 (0.59) KMT2AMMP13SMN1; SMN2TP53
SCHEMBL5748829 0.78 POLB (0.64) KMT2APOLBMEN1GAASMN1; SMN2
SCHEMBL30128644 0.78 TP53 (0.57) KMT2ALMNAPOLBRAB9AMEN1
SCHEMBL16221270 0.78 ROCK2 (0.60) POLBMMP13SMN1; SMN2TP53
SCHEMBL16221177 0.74 CHRM1 (0.49) KMT2ARAB9ANPC1MMP13SMN1; SMN2

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-111116552-B Quinazolinone compound and preparation method thereof 河北科技大学 2022-10-11 CN disclosed