SCHEMBL7401869

SCHEMBL7401869

CC(=O)N(c1cscn1)C(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL7393970 1.00 KDM4E (0.38) KDM4EKDM4AKDM4BKDM5CKDM5B
SCHEMBL16287666 0.83 KDM4E (0.40) KDM4EKDM4AKDM4BKDM5CKDM5B
SCHEMBL28358210 0.83 KDM4E (0.40) KDM4EKDM4AKDM4BKDM5CKDM5B
SCHEMBL7297273 0.81 USP30 (0.37) KDM4E
SCHEMBL7443725 0.76 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL6209579 0.73 CPA3 (0.47) ALDH1A1
SCHEMBL6209574 0.73 CPA3 (0.47) ALDH1A1
SCHEMBL28517018 0.73 KDM4E (0.39) KDM4EKDM4AKDM4BKDM5CKDM5B
SCHEMBL11354719 0.72 KDM4E (0.42) KDM4EKDM4AKDM4BKDM5CKDM5B
SCHEMBL3161028 0.71 KDM4E (0.41) KDM4EKDM4AKDM4BKDM5CKDM5B

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-1992000972-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-01-23 WO disclosed