SCHEMBL8947868

SCHEMBL8947868

O=C(O)CCNc1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FLT3 P36888 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NSD2 O96028 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL8158782 0.80 RECQL (0.46) ALDH1A1L3MBTL1HPGDMAPTKDM4E
SCHEMBL9826049 0.77 MAOB (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL5383838 0.77 LOXL2 (0.42) ALDH1A1L3MBTL1MAPTKDM4EHSD17B10
SCHEMBL10823736 0.75 NPC1 (0.54) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL9826458 0.74 HDAC3 (0.52) ALDH1A1L3MBTL1MAPTKDM4EHSD17B10
SCHEMBL11869069 0.74 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL7699924 0.74 FLT3 (0.48) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL1062947 0.73 HPGD (0.54) ALDH1A1HPGDHSD17B10HTTTP53
SCHEMBL424398 0.73 HDAC3 (0.48) ALDH1A1L3MBTL1MAPTKDM4EHSD17B10
SCHEMBL3865052 0.73 TAS1R3 (0.48) ALDH1A1HPGDMAPTKDM4EHSD17B10

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
US-5516911-A Fluorescent intracellular calcium indicators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-05-14 US disclosed