SCHEMBL10522261

SCHEMBL10522261

O=[N+]([O-])C1(c2ccccc2)C=CC=CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HDAC4 P56524 1/20 0.32
KCNA4 P22459 1/20 0.31
KCNA1 Q09470 1/20 0.31
KCNAB1 Q14722 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
SCHEMBL27500733 0.79 MAPT (0.34)
SCHEMBL30461155 0.78 HSD17B10 (0.36) ALDH1A1
SCHEMBL28755964 0.72
SCHEMBL28059965 0.69 MAPT (0.38) ALDH1A1LMNA
SCHEMBL5715764 0.68 MAOB (0.38) HDAC4
SCHEMBL27916535 0.68
Hydrochloric Acid SCHEMBL8378829 0.68 MEN1 (0.30)
SCHEMBL10343031 0.68 ALDH1A1 (0.33) ALDH1A1LMNAKCNA4KCNA1KCNAB1
SCHEMBL28226978 0.68 CES2 (0.36) ALDH1A1LMNA
SCHEMBL2283117 0.67 HDAC4 (0.34) HDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1100910-A None JP disclosed
CN-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 CN disclosed
JP-H01100910-A ELECTROLYTE FOR DRIVING ELECTROLYTIC CAPACITOR NICHICON CORP 1989-04-19 JP disclosed