SCHEMBL20024196

SCHEMBL20024196

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4nc(-c5ccccc5)nc(-c5ccccc5)c4c3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.34
NPY5R Q15761 1/20 0.34
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ATM Q13315 2/20 0.32
PRKDC P78527 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL20024779 0.97 SMN1; SMN2 (0.33) TBK1NPY5RPLA2G2APLA2G4ASMN1; SMN2
SCHEMBL20029876 0.94 ATM (0.38) TBK1NPY5RPLA2G2APLA2G4ASMN1; SMN2
SCHEMBL20029928 0.94 ATM (0.38) TBK1NPY5RPLA2G2APLA2G4ASMN1; SMN2
SCHEMBL24388302 0.92 L3MBTL1 (0.37) TBK1NPY5RPLA2G2APLA2G4ASMN1; SMN2
SCHEMBL20030036 0.92 ATM (0.37) TBK1NPY5RPLA2G2APLA2G4ASMN1; SMN2
SCHEMBL20029875 0.91 PRKDC (0.33) TBK1NPY5RPLA2G2APLA2G4ASMN1; SMN2
SCHEMBL24388314 0.91 L3MBTL1 (0.36) TBK1NPY5RPLA2G2APLA2G4ASMN1; SMN2
SCHEMBL24778820 0.91 L3MBTL1 (0.36) TBK1NPY5RPLA2G2APLA2G4ASMN1; SMN2
SCHEMBL24778827 0.91 ATM (0.36) TBK1NPY5RSMN1; SMN2LMNACCNE2
SCHEMBL24746546 0.91 L3MBTL1 (0.38) SMN1; SMN2LMNACCNE2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519415-B1 CARBAZOLES WITH DIAZADIBENZOFURANE OR DIAZADIBENZOTHIOPHENE STRUCTURES MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
WO-2018060218-A1 CARBAZOLES WITH DIAZADIBENZOFURANE OR DIAZADIBENZOTHIOPHENE STRUCTURES MERCK PATENT GMBH (DE) 2018-04-05 WO disclosed