SCHEMBL9658564

SCHEMBL9658564

CC(=O)c1cc(Oc2ccc(F)cc2F)c(N)cc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
TRPA1 O75762 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL9658234 0.82 CREBBP (0.54) BRD4SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL9658204 0.81 CREBBP (0.46) BRD4MAPTALDH1A1CREBBP
SCHEMBL9658316 0.80 HSPB1 (0.57) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9655142 0.78 PTGS2 (0.55) BRD4MAPTALDH1A1
SCHEMBL22859971 0.77 MAOB (0.46) BRD4MAPTALDH1A1LMNAHTT
SCHEMBL20155430 0.75 TRPA1 (0.45) BRD4TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL9658659 0.74 AR (0.47) BRD4TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL31371422 0.74 BRD4 (0.43) BRD4TRPA1MAPTALDH1A1SCN8A
SCHEMBL9656997 0.73 BRD4 (0.47) BRD4ALDH1A1
SCHEMBL9658610 0.73 HSD17B2 (0.46) SLC6A2SLC6A3MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273369-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-04 EP disclosed
US-4866091-A ANTINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-12 US disclosed