SCHEMBL6992776

SCHEMBL6992776

c1cc(NNc2cccc(N3CCOCC3)c2)cc(N2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
KMO O15229 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
AGXT P21549 1/20 0.51
TTBK1 Q5TCY1 1/20 0.51
TTBK2 Q6IQ55 1/20 0.51
PIM1 P11309 1/20 0.50
CCNT1 O60563 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CDK9 P50750 1/20 0.48
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47

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
SCHEMBL2087362 0.87 LMNA (0.55) LMNAKMOHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL2086926 0.86 LMNA (0.53) LMNAKMOHDAC3HDAC1HDAC2
SCHEMBL108137 0.86 LMNA (0.53) LMNAKMOHDAC3HDAC1HDAC2
SCHEMBL27970512 0.86 LMNA (0.53) LMNAKMOHDAC3HDAC1HDAC2
SCHEMBL19623431 0.86 HDAC1 (0.56) LMNAKMOHDAC3HDAC1HDAC2
SCHEMBL27329825 0.84 LMNA (0.71) LMNAKMOAGXTCASP7MAPT
SCHEMBL17320558 0.82 HDAC4 (0.49) LMNAKMOHDAC3HDAC1HDAC2
SCHEMBL28756272 0.82 AGXT (0.52) LMNAKMOHDAC3HDAC1HDAC2
SCHEMBL20900710 0.82 LMNA (0.49) LMNAKMOHDAC3HDAC1HDAC2
SCHEMBL21966131 0.82 LMNA (0.49) LMNAKMOHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed