SCHEMBL9537488

SCHEMBL9537488

O=C(Oc1ccccc1)N(CCO)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
ATM Q13315 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
PTGES O14684 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL11422493 0.85 ATM (0.56) L3MBTL1ATMTDP1PTGESNPSR1
SCHEMBL10957777 0.85 L3MBTL1 (0.56) L3MBTL1ATMTDP1PTGESNPSR1
SCHEMBL28333250 0.82 ATM (0.53) L3MBTL1ATMTDP1HDAC1HDAC6
SCHEMBL3483438 0.81 L3MBTL1 (0.59) L3MBTL1ATMTDP1PTGESNPSR1
SCHEMBL4089380 0.81 ALDH1A1 (0.61) L3MBTL1ATMTDP1PTGESNPSR1
SCHEMBL9359346 0.81 L3MBTL1 (0.59) L3MBTL1ATMTDP1PTGESNPSR1
SCHEMBL4046453 0.81 HDAC3 (0.49) L3MBTL1HDAC3HDAC4HDAC1HDAC2
SCHEMBL6240933 0.78 SMN1; SMN2 (0.56) L3MBTL1HDAC3HDAC4HDAC1HDAC2
SCHEMBL7791465 0.77 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL9534399 0.77 ATM (0.50) L3MBTL1ATMTDP1NPSR1SMN1; SMN2

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-0555251-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP plc (GB) 1993-08-18 EP disclosed
WO-1992007838-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-05-14 WO disclosed