SCHEMBL8938142

SCHEMBL8938142

O=C(Cc1ccccc1)NOCCNCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
NCOR2 Q9Y618 2/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8938110 0.80 HDAC8 (0.53) KMT2AMEN1KDM4EHDAC8HDAC3
SCHEMBL11111266 0.77 GAA (0.62) KMT2AMEN1TDP1HDAC8HDAC3
SCHEMBL7424713 0.76 NPC1 (0.62) KMT2AMEN1KDM4EHDAC8HDAC3
SCHEMBL29133806 0.76 LMNA (0.57) DRD4KMT2AMEN1KDM4ETDP1
Hydrochloric Acid SCHEMBL11105183 0.76 GAA (0.60) KMT2AMEN1TDP1HDAC8HDAC3
Bromide SCHEMBL11105861 0.76 GAA (0.60) KMT2AMEN1TDP1HDAC8HDAC3
SCHEMBL28308722 0.75 KMT2A (0.55) KMT2AMEN1KDM4EHDAC8HDAC6
SCHEMBL28139812 0.74 MEN1 (0.60) KMT2AMEN1KDM4EHDAC8HDAC3
SCHEMBL8976099 0.74 DRD4 (0.65) DRD4KMT2AKDM4EHDAC8HDAC3
Bicarbonate SCHEMBL11577700 0.73 MEN1 (0.81) DRD4KMT2AMEN1KDM4ETDP1

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-5502078-A Chemical compounds ZENECA LIMITED (GB) 1996-03-26 US disclosed