SCHEMBL31589286

SCHEMBL31589286

CC(C)(C)OC(=O)N1CC(C#Cc2nnc(Cl)cc2N)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SMARCA2 P51531 2/20 0.36
SMARCA4 P51532 2/20 0.36
PBRM1 Q86U86 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
NR1H2 P55055 2/20 0.34
KMT2A Q03164 2/20 0.33
STS P08842 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
ADK P55263 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4B Q07343 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL26653995 1.00 ALDH2 (0.36) ALDH2HDAC1HDAC2SMARCA2SMARCA4
SCHEMBL26654182 0.89 STS (0.41) SMARCA2SMARCA4PBRM1STSHTT
SCHEMBL26653996 0.87 ALDH2 (0.36) ALDH2NR1H2KMT2ASTSLMNA
SCHEMBL31589317 0.87 ALDH2 (0.36) ALDH2NR1H2KMT2ASTSLMNA
SCHEMBL31589314 0.85 ALDH2 (0.37) ALDH2HDAC1HDAC2NR1H2STS
SCHEMBL26653956 0.85 ALDH2 (0.37) ALDH2HDAC1HDAC2NR1H2STS
SCHEMBL31396291 0.84 SMARCA2 (0.38) ALDH2HDAC1HDAC2SMARCA2SMARCA4
SCHEMBL31505549 0.84 SMARCA2 (0.38) ALDH2HDAC1HDAC2SMARCA2SMARCA4
SCHEMBL30666252 0.82 POLB (0.39) ALDH2NR1H2KMT2ASTSLMNA
SCHEMBL26683320 0.82 POLB (0.39) ALDH2NR1H2KMT2ASTSLMNA

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
CN-120035593-A Pyrazine derivatives and uses thereof 福宏治疗公司 2025-05-23 CN disclosed