SCHEMBL7898152

SCHEMBL7898152

CCN(Cc1ccccc1)/C(C)=C/C=C(\C)c1cccc(NS(=O)(=O)N(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.51
▸ LIMK2 P53671 8/20 0.44
▸ LIMK1 P53667 5/20 0.44
▸ ALDH1A1 P00352 1/20 0.40
▸ AR P10275 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LCK P06239 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
SCHEMBL7901346 0.90 NR3C1 (0.50) LIMK2LIMK1ALDH1A1PTGESNR3C1
SCHEMBL7715239 0.86 LIMK2 (0.43) LIMK2LIMK1ALDH1A1PTGESNR3C1
SCHEMBL7715230 0.84 LIMK2 (0.56) LIMK2LIMK1ALDH1A1PTGESMEN1
SCHEMBL7711039 0.79 RAB9A (0.43) LIMK2LIMK1ALDH1A1PTGESMEN1
SCHEMBL11067980 0.70 HTT (0.73) HTTALDH1A1MEN1KMT2A
SCHEMBL10808044 0.69 HTT (0.77) HTTALDH1A1MEN1KMT2A
SCHEMBL335974 0.69 HTT (1.00) HTTALDH1A1MEN1KMT2A
SCHEMBL14194063 0.68 HPGD (0.65) HTTALDH1A1ARMEN1KMT2A
SCHEMBL11067449 0.67 HTT (0.63) HTTALDH1A1ARMEN1KMT2A
SCHEMBL11509515 0.66 HTT (0.62) HTTALDH1A1ARMEN1KMT2A

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-2010123822-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE SULFONAMIDE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-10-28 — — WO disclosed
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