SCHEMBL24860439

SCHEMBL24860439

CNCCCCCC(=O)SC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
EPHX1 P07099 3/20 0.42
ADRA1A P35348 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
PRMT1 Q99873 1/20 0.35
PAOX Q6QHF9 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CASP2 P42575 1/20 0.33
KISS1R Q969F8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL25479251 0.77 MAPK1 (0.37) KDM4AKDM4CEPHX1ADRA1AKDM4E
SCHEMBL26224162 0.77 MAPK1 (0.37) KDM4AKDM4CEPHX1ADRA1AKDM4E
SCHEMBL22794331 0.77 MAPK1 (0.37) KDM4AKDM4CEPHX1ADRA1AKDM4E
SCHEMBL17942985 0.76 KDM4A (0.63) KDM4AKDM4CADRA1APRMT1ALDH1A1
SCHEMBL22954504 0.76 PAOX (0.57) KDM4AKDM4CEPHX1ADRA1AKDM4E
SCHEMBL11303506 0.76 PAOX (0.57) KDM4AKDM4CEPHX1ADRA1AKDM4E
SCHEMBL24812346 0.76 PAOX (0.57) KDM4AKDM4CEPHX1ADRA1AKDM4E
SCHEMBL23279213 0.76 KDM4A (0.48) KDM4AKDM4CEPHX1ADRA1AKDM4E
SCHEMBL24804427 0.76 KDM4A (0.48) KDM4AKDM4CEPHX1ADRA1AKDM4E
SCHEMBL18932735 0.76 PAOX (0.57) KDM4AKDM4CEPHX1ADRA1AKDM4E

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-3408271-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2023-01-11 EP disclosed