SCHEMBL29466342

SCHEMBL29466342

O=C(O)c1cccc(Nc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
KDM4E B2RXH2 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
MAPT P10636 2/20 0.64
ALPG P10696 1/20 0.64
LMNA P02545 2/20 0.59
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
ACMSD Q8TDX5 1/20 0.57
POLB P06746 1/20 0.50
AURKA O14965 3/20 0.49
AURKB Q96GD4 1/20 0.49
HCAR3 P49019 1/20 0.49
RHOA P61586 1/20 0.47
NPC1 O15118 4/20 0.44
CSNK2A1 P68400 2/20 0.44
CHEK1 O14757 1/20 0.44
IKBKB O14920 1/20 0.44

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
SCHEMBL25310959 1.00 RAB9A (0.64) RAB9AKDM4EMEN1KMT2ATDP1
SCHEMBL25876087 0.86 MEN1 (0.60) RAB9AKDM4EMEN1KMT2ATDP1
SCHEMBL25876316 0.86 MAPT (0.60) RAB9AKDM4EMEN1KMT2ATDP1
SCHEMBL25883121 0.82 RAB9A (0.55) RAB9AKDM4EMEN1KMT2ATDP1
SCHEMBL25876445 0.82 RAB9A (0.55) RAB9AKDM4EMEN1KMT2ATDP1
SCHEMBL25879067 0.82 KMT2A (0.55) RAB9AKDM4EMEN1KMT2ATDP1
SCHEMBL25876099 0.82 MEN1 (0.55) RAB9AKDM4EMEN1KMT2ATDP1
SCHEMBL25881254 0.81 LMNA (0.56) RAB9AKDM4EMEN1KMT2ATDP1
SCHEMBL25312498 0.80 MAPT (0.53) RAB9AKDM4EMEN1KMT2ATDP1
SCHEMBL18286208 0.80 AURKA (0.60) RAB9AKDM4EMEN1KMT2ATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022057932-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-03-24 WO disclosed
WO-2022057928-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-03-24 WO disclosed
CN-114195780-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 CN disclosed
CN-114195806-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 CN disclosed