SCHEMBL9413835

SCHEMBL9413835

Nc1cc2n(CC(=O)O)ccn2c(=S)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 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
SCHEMBL9413883 0.75 CSNK2A2 (0.33) KDM4EALDH1A1TDP1CSNK2A2CSNK2A1
SCHEMBL9409258 0.73 KMT2A (0.45) KMT2AKDM4EALDH1A1TDP1
SCHEMBL9413794 0.70 LMNA (0.30)
SCHEMBL9413917 0.68 TSHR (0.32)
SCHEMBL9413855 0.68 LMNA (0.35) KDM4EALDH1A1
SCHEMBL10717881 0.66 KMT2A (0.40) KMT2AKDM4EALDH1A1
SCHEMBL9413814 0.65 ALDH1A1 (0.33) KMT2AKDM4EALDH1A1
SCHEMBL1672081 0.62 KMT2A (0.46) KMT2AKDM4EALDH1A1
SCHEMBL9409243 0.59 KDM4E (0.39) KMT2AKDM4EALDH1A1TDP1
SCHEMBL938206 0.58 ARG1 (0.53) KMT2AALDH1A1CSNK2A2CSNK2A1

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-0582261-A1 Cephalosporin compounds and processes for the preparation thereof LUCKY LTD. (KR) 1994-02-09 EP disclosed