SCHEMBL22909449

SCHEMBL22909449

C=C(c1ccc(CC)cc1)c1c(F)c(F)c(F)c(F)c1SN(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLK1 P53350 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 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
SCHEMBL22909456 0.82 MEN1 (0.41) ALDH1A1GAA
SCHEMBL22909497 0.81 CES2 (0.34) HDAC6
SCHEMBL22909600 0.73 IDO1 (0.36) LMNAGAA
SCHEMBL22909496 0.72 LMNA (0.33) LMNA
SCHEMBL22909179 0.70 TSHR (0.35) ALDH1A1
SCHEMBL6546242 0.69 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PLK1
SCHEMBL22909499 0.68
SCHEMBL9035286 0.67 ALDH1A1 (0.55) HDAC3HDAC6ALDH1A1SMN1; SMN2PLK1
SCHEMBL22909437 0.65
SCHEMBL10441340 0.63 HSD17B10 (0.65) ALDH1A1SMN1; SMN2PLK1LMNAGAA

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-2021009568-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO, INC. (CA) 2021-01-21 WO disclosed