SCHEMBL8936095

SCHEMBL8936095

COc1cc(C)c2ccc(Cl)cc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
NR4A2 P43354 1/20 0.47
DHFR P00374 1/20 0.47
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.44
ACHE P22303 3/20 0.41
HDAC3 O15379 1/20 0.41
APP P05067 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL5639914 0.84 POLB (0.47) POLBNR4A2KMT2AKDM4EMEN1
SCHEMBL2190816 0.81 POLB (0.45) POLBNR4A2L3MBTL1KMT2AKDM4E
SCHEMBL9828612 0.79 F2 (0.56) POLBDHFRLMNAL3MBTL1KMT2A
SCHEMBL8936165 0.79 POLB (0.42) POLBNR4A2LMNAKMT2AKDM4E
SCHEMBL8936155 0.78 POLB (0.72) POLBNR4A2LMNAKMT2AKDM4E
SCHEMBL6492060 0.78 POLB (1.00) POLBNR4A2LMNAKMT2AKDM4E
SCHEMBL9828211 0.77 LMNA (0.47) POLBDHFRLMNAL3MBTL1KMT2A
SCHEMBL423891 0.77 L3MBTL1 (0.71) POLBLMNAL3MBTL1KMT2AKDM4E
SCHEMBL23619822 0.72 CYP1A2 (0.51) POLBDHFRLMNAL3MBTL1KMT2A
SCHEMBL23619823 0.72 CYP1A2 (0.51) POLBDHFRLMNAL3MBTL1KMT2A

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
US-5510338-A ADMINISTERING TO A MAMMAL TO RELIEVE PAIN AND TO TREAT CONVULSIONS, CEREBRAL ISCHEMIC DAMAGE, AND EMESIS GUILFORD PHARMACEUTICALS INC. (US) 1996-04-23 US disclosed
US-5342946-A Phosphonoalkylquinolin-2-ones as novel antagonists of non-NMDA ionotropic excitatory amino acid receptors GUILFORD PHARMACEUTICALS INC. (US) 1994-08-30 US disclosed