SCHEMBL7901346

SCHEMBL7901346

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LIMK2 P53671 5/20 0.46
▸ LIMK1 P53667 4/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NR3C2 P08235 1/20 0.41
▸ PTGES O14684 1/20 0.40
▸ HPGD P15428 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
SCHEMBL7898152 0.90 HTT (0.51) NR3C1ALDH1A1LIMK2LIMK1MEN1
SCHEMBL7715239 0.88 LIMK2 (0.43) NR3C1ALDH1A1SMN1; SMN2LIMK2LIMK1
SCHEMBL7715230 0.86 LIMK2 (0.56) ALDH1A1SMN1; SMN2LIMK2LIMK1MEN1
SCHEMBL7711039 0.81 RAB9A (0.43) ALDH1A1SMN1; SMN2LIMK2LIMK1MEN1
SCHEMBL10894219 0.69 NR3C1 (0.87) NR3C1NR3C2
SCHEMBL14354039 0.68 NR3C1 (0.50) NR3C1ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL14354040 0.68 NR3C1 (0.50) NR3C1ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL6840090 0.67 ALDH1A1 (0.77) NR3C1ALDH1A1SMN1; SMN2POLBNR3C2
SCHEMBL11705518 0.67 CA1 (0.71) ALDH1A1SMN1; SMN2POLBKMT2AHPGD
SCHEMBL11949259 0.67 SMN1; SMN2 (0.61) NR3C1ALDH1A1SMN1; SMN2LIMK2LIMK1

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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