SCHEMBL30519331

SCHEMBL30519331

O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 1.00
CASP3 P42574 2/20 0.71
MAPT P10636 7/20 0.68
NPC1 O15118 7/20 0.68
RAB9A P51151 7/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
POLB P06746 4/20 0.68
MCL1 Q07820 2/20 0.68
CYP1A2 P05177 2/20 0.68
OPRM1 P35372 1/20 0.68
OPRD1 P41143 1/20 0.68
CTDSP1 Q9GZU7 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
TSHR P16473 1/20 0.68
ALDH1A1 P00352 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
MAOA P21397 1/20 0.66
GAA P10253 1/20 0.64
THRB P10828 1/20 0.61

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
SCHEMBL8528763 1.00 ACE2 (1.00) ACE2CASP3MAPTNPC1RAB9A
SCHEMBL25970373 0.98 ACE2 (0.97) ACE2CASP3MAPTNPC1RAB9A
SCHEMBL4289564 0.98 ACE2 (0.97) ACE2CASP3MAPTNPC1RAB9A
SCHEMBL24634803 0.88 ACE2 (0.78) ACE2CASP3MAPTNPC1RAB9A
SCHEMBL22523771 0.84 ACE2 (0.72) ACE2MAPTNPC1RAB9AMEN1
SCHEMBL13129741 0.84 ACE2 (0.72) ACE2CASP3MAPTNPC1RAB9A
SCHEMBL14728767 0.83 ACE2 (0.71) ACE2CASP3MAPTNPC1RAB9A
SCHEMBL12857823 0.83 CASP3 (1.00) ACE2CASP3MEN1KMT2APOLB
SCHEMBL12857981 0.83 CASP3 (1.00) ACE2CASP3MEN1KMT2ACTDSP1
SCHEMBL22336288 0.83 NPC1 (0.75) ACE2CASP3MAPTNPC1RAB9A

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-116406273-A Azelastine as an antiviral treatment 塞比纳有限公司 2023-07-07 CN disclosed