SCHEMBL30128811

SCHEMBL30128811

Cc1cc(CCn2cnc3ccccc3c2=O)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 3/20 0.51
LMNA P02545 5/20 0.50
TP53 P04637 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX12 P18054 1/20 0.50
THRB P10828 2/20 0.48

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
SCHEMBL30128797 0.85 POLB (0.48) SMN1; SMN2POLBLMNATP53RAB9A
SCHEMBL30128766 0.85 MAPT (0.50) SMN1; SMN2POLBLMNARAB9AMAPT
SCHEMBL30128747 0.85 MAPK1 (0.51) SMN1; SMN2POLBLMNARAB9ACYP1A2
SCHEMBL30128569 0.84 KMT2A (0.52) SMN1; SMN2POLBLMNATP53RAB9A
SCHEMBL28389854 0.83 SMN1; SMN2 (0.53) SMN1; SMN2POLBLMNATP53RAB9A
SCHEMBL5748829 0.81 POLB (0.64) SMN1; SMN2POLBCYP1A2CYP2D6CYP2C9
SCHEMBL30128644 0.81 TP53 (0.57) SMN1; SMN2POLBLMNATP53RAB9A
SCHEMBL30128774 0.76 SMN1; SMN2 (0.59) SMN1; SMN2POLBLMNATP53RAB9A
SCHEMBL19049515 0.75 LMNA (0.61) SMN1; SMN2POLBLMNATP53RAB9A
SCHEMBL30128546 0.75 SMN1; SMN2 (0.53) SMN1; SMN2POLBLMNARAB9AMAPT

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