SCHEMBL30868397

SCHEMBL30868397

COc1cc(C2=CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
CHEK1 O14757 11/20 0.46
SIRT6 Q8N6T7 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ACMSD Q8TDX5 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL6181269 0.96 ALDH1A1 (0.50) ALDH1A1LMNACHEK1SIRT6TDP1
SCHEMBL6177383 0.86 PDGFRB (0.46) ALDH1A1LMNATDP1PDGFRBPDGFRA
SCHEMBL309803 0.82 CHEK1 (0.46) ALDH1A1LMNACHEK1SIRT6TDP1
SCHEMBL522135 0.81 QDPR (0.62) ALDH1A1LMNACHEK1SIRT6
SCHEMBL2208088 0.81 ADRA2A (0.46) ALDH1A1LMNACHEK1SIRT6TDP1
SCHEMBL11224598 0.81 CHEK1 (0.61) ALDH1A1LMNACHEK1SIRT6TDP1
SCHEMBL15993325 0.80 QDPR (0.63) ALDH1A1LMNACHEK1SIRT6MAPT
SCHEMBL30868525 0.80 SIRT6 (0.49) CHEK1SIRT6TDP1PDGFRBPDGFRA
SCHEMBL2201835 0.80 SIRT6 (0.53) ALDH1A1LMNACHEK1SIRT6TDP1
Hydrochloric Acid SCHEMBL521660 0.80 QDPR (0.61) ALDH1A1LMNACHEK1SIRT6

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
WO-2024028169-A1 NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-02-08 WO disclosed