SCHEMBL8635797

SCHEMBL8635797

NC(=O)C=Cc1nc2cc(Cl)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
MAPT P10636 3/20 0.50
THRB P10828 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
KCNH2 Q12809 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL8635794 1.00 KDM4E (0.57) KDM4EMAPTTHRBLMNACYP1A2
SCHEMBL8631135 0.82 KDM4E (0.50) KDM4EMAPTTHRBLMNACYP1A2
SCHEMBL8631129 0.82 KDM4E (0.50) KDM4EMAPTTHRBLMNACYP1A2
SCHEMBL29770366 0.79 KDM4E (0.50) KDM4EMAPTTHRBLMNACYP1A2
SCHEMBL27203393 0.79 KDM4E (0.50) KDM4EMAPTTHRBLMNACYP1A2
Chlorzoxazone SCHEMBL35177 0.78 KDM4E (0.70) KDM4EMAPTTHRBLMNACYP1A2
SCHEMBL7471044 0.78 KDM4E (0.57) KDM4EMAPTTHRBLMNACYP1A2
SCHEMBL7471035 0.78 KDM4E (0.57) KDM4EMAPTTHRBLMNACYP1A2
SCHEMBL7464328 0.77 KDM4E (0.64) KDM4EMAPTTHRBLMNACYP1A2
Chlorzoxazone SCHEMBL27696905 0.75 KDM4E (0.66) KDM4EMAPTTHRBLMNACYP1A2

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-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed