SCHEMBL20125299

SCHEMBL20125299

CN(C)CCCOC(c1cc2nccc(C=O)c2[nH]1)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
KDM5A P29375 3/20 0.33
KDM4A O75164 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
ATM Q13315 5/20 0.33
MAOA P21397 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
CHEK2 O96017 1/20 0.32
POLB P06746 1/20 0.31
AXL P30530 1/20 0.31
PDE3B Q13370 3/20 0.31
PDE3A Q14432 3/20 0.31
P2RY12 Q9H244 3/20 0.31
PIK3CA P42336 2/20 0.31
MTOR P42345 1/20 0.31
PDE2A O00408 1/20 0.31
PYGL P06737 1/20 0.31

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
SCHEMBL17889765 0.85 KDM5A (0.49) KDM5AKDM4AKDM5BKDM4C
SCHEMBL19514197 0.80 KDM4E (0.39) KDM4EATMMAOACHEK2
SCHEMBL17889766 0.79 KDM5A (0.51) KDM4EKDM5AKDM4AKDM5BKDM4C
SCHEMBL20125322 0.67 KDM5A (0.62) KDM5AKDM4AKDM5BKDM4C
SCHEMBL20125300 0.66 KDM5B (0.64) KDM5AKDM4AKDM5BKDM4C
SCHEMBL20125337 0.66 KDM5B (0.61) KDM5AKDM4AKDM5BKDM4CPOLB
SCHEMBL20125267 0.64 KDM5B (0.65) KDM5AKDM4AKDM5BKDM4CCHEK2
SCHEMBL16157309 0.64 KDM5A (0.60) KDM5AKDM4AKDM5BKDM4C
SCHEMBL20125258 0.63 KDM5B (0.59) KDM5AKDM4AKDM5BKDM4C
SCHEMBL20125307 0.63 KDM5A (0.71) KDM5AKDM4AKDM5BKDM4C

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
EP-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed