SCHEMBL24970979

SCHEMBL24970979

Cc1cccc2cc(Cl)c(=O)[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.65
DDO Q99489 1/20 0.65
KDM4E B2RXH2 11/20 0.51
HSD17B10 Q99714 4/20 0.51
ALDH1A1 P00352 7/20 0.50
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
NSD2 O96028 1/20 0.43
ATM Q13315 2/20 0.43
USP2 O75604 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12559601 0.83 DAO (0.71) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL9431998 0.79 DAO (0.65) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL16767856 0.79 DAO (1.00) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL22198975 0.79 DAO (0.65) DAODDOKDM4EHSD17B10
SCHEMBL31143052 0.76 MAPT (0.49) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL24970965 0.76 MAPT (0.49) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL831363 0.76 DAO (0.61) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL4071083 0.76 DAO (0.61) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL4746968 0.75 RXFP1 (0.63) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL9264392 0.75 DAO (0.64) DAODDOKDM4EHSD17B10ALDH1A1

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
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO disclosed