SCHEMBL30868488

SCHEMBL30868488

O=[N+]([O-])c1ccc(N2CC3(C2)CC(F)(F)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.49
SIRT6 Q8N6T7 2/20 0.49
ADRB1 P08588 1/20 0.49
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CRBN Q96SW2 2/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
AKR1C3 P42330 1/20 0.41

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
SCHEMBL25279405 0.86 POLB (0.59) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL17373705 0.80 MAPT (0.59) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL25200165 0.80 MAPT (0.59) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL22175056 0.79 SIRT6 (0.63) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL25447124 0.79 SIRT6 (0.58) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL17047527 0.79 MAPT (0.53) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL22171227 0.78 SIRT6 (0.50) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL7986410 0.78 SIRT6 (0.66) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL22466069 0.77 POLB (0.57) POLBMAPTALDH1A1SIRT6ADRB1
SCHEMBL17630980 0.77 MAPT (0.51) POLBMAPTALDH1A1SIRT6ADRB1

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