SCHEMBL20570469

SCHEMBL20570469

O=C(O)c1cn(CCCc2ccc(Cl)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.49
TBXAS1 P24557 2/20 0.46
KDM4C Q9H3R0 3/20 0.40
CTRC Q99895 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL4737266 0.84 RBP4 (0.48) PLA2G4AKDM4CKDM5AKDM5BKDM4A
SCHEMBL20570094 0.77 CYP19A1 (0.44) KDM5BIGF1RALOX15
SCHEMBL20569330 0.77 HMOX1 (0.40) KDM5BHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL20570736 0.75 IGF1R (0.38) TBXAS1KDM5BIGF1RALOX15
SCHEMBL2283649 0.74 PLA2G4A (0.50) PLA2G4AKDM5AKDM5BALOX15
SCHEMBL20569285 0.74 L3MBTL1 (0.57)
SCHEMBL30268827 0.73 PLA2G4A (0.52) PLA2G4ATBXAS1KDM5AKDM5BALOX15
SCHEMBL7265607 0.72 PLA2G4A (0.39) PLA2G4AKDM4CKDM5AKDM5B
SCHEMBL27781577 0.72 PLA2G4A (0.54) PLA2G4ATBXAS1KDM5AKDM5BALOX15
SCHEMBL27781551 0.72 PLA2G4A (0.54) PLA2G4ATBXAS1KDM5AKDM5BALOX15

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
WO-2018216823-A1 ALPHA-AMINO AMIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed