SCHEMBL4049720

SCHEMBL4049720

CN(C)/C=C/C(=O)c1cccc(S(=O)(=O)N(C)CCN(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 6/20 0.52
HTT P42858 4/20 0.52
GAA P10253 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
RECQL P46063 2/20 0.49
RAB9A P51151 5/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL4049726 1.00 MAPT (0.52) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4055383 0.84 ALDH1A1 (0.60) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4055382 0.84 ALDH1A1 (0.60) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4237644 0.81 ALDH1A1 (0.51) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4237642 0.81 ALDH1A1 (0.51) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4050803 0.81 ALDH1A1 (0.50) ALDH1A1HTTGAASMN1; SMN2RECQL
SCHEMBL4056415 0.80 CYP2C19 (0.50) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4056421 0.80 CYP2C19 (0.50) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4053916 0.79 ALDH1A1 (0.48) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4053914 0.79 ALDH1A1 (0.48) MAPTALDH1A1HTTGAAHPGD

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-2009111260-A1 PHENYLSULFONAMIDE-SUBSTITUTED, PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-11 WO disclosed