SCHEMBL9413865

SCHEMBL9413865

Cc1c(N)nc(=S)n2ncn(CC(=O)O)c12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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 0.72 CSNK2A2 (0.33) KDM4EALDH1A1TDP1
SCHEMBL9413811 0.64 SMN1; SMN2 (0.32) KDM4EALDH1A1MAPT
SCHEMBL18742199 0.62 TRPA1 (0.44) LMNAKDM4EALDH1A1GAAPOLB
Hydrochloric Acid SCHEMBL18742156 0.61 TRPA1 (0.43) LMNAKDM4EALDH1A1POLBMAPT
SCHEMBL9409258 0.61 KMT2A (0.45) LMNAKDM4EALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL18742186 0.60 TRPA1 (0.40) LMNAKDM4EALDH1A1POLBMAPT
SCHEMBL18703988 0.60 TRPA1 (0.45) LMNAKDM4EALDH1A1POLBMAPT
SCHEMBL8769047 0.60 ALDH1A1 (0.44) LMNAKDM4EALDH1A1GAAPOLB
SCHEMBL18704036 0.59 SMN1; SMN2 (0.40) LMNAKDM4EALDH1A1GAAPOLB
SCHEMBL9413855 0.59 LMNA (0.35) LMNAKDM4EALDH1A1GAA

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