SCHEMBL6624974

SCHEMBL6624974

CN(C)c1cc(NC(=O)O)c(NC(=O)CC(=O)c2cccc(-n3cccn3)c2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.40
LMNA P02545 1/20 0.39
APOBEC3A P31941 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLS O94925 1/20 0.37
MAPK14 Q16539 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TEK Q02763 1/20 0.36
MAPK10 P53779 3/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6166534 0.88 KAT6A (0.35) KAT6ALMNAAPOBEC3ACASP7CASP6
SCHEMBL6608216 0.87 L3MBTL1 (0.41) KAT6ALMNAL3MBTL1ALDH1A1GLS
SCHEMBL6612425 0.79 NOTUM (0.37) APOBEC3ACASP7CASP6APOBEC3GTDP1
SCHEMBL6624991 0.79 KAT6A (0.39) KAT6ALMNAAPOBEC3ACASP7CASP6
SCHEMBL6607778 0.78 HSD11B1 (0.44) APOBEC3ACASP7CASP6APOBEC3GTDP1
SCHEMBL6166386 0.78 NOTUM (0.38) APOBEC3ACASP7CASP6APOBEC3GTDP1
SCHEMBL6609458 0.77 GSK3B (0.43) LMNARAB9AALDH1A1MEN1KMT2A
SCHEMBL6166140 0.76 L3MBTL1 (0.38) KAT6ALMNAL3MBTL1GLSRXFP1
SCHEMBL6689698 0.76 L3MBTL1 (0.41) L3MBTL1ALDH1A1MEN1KMT2AMAPK10
SCHEMBL6164798 0.75 RAB9A (0.38) APOBEC3ACASP7CASP6APOBEC3GTDP1

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-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed