SCHEMBL3445559

SCHEMBL3445559

O=CCCCC1CCCCN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.48
TSHR P16473 1/20 0.48
PKM P14618 2/20 0.47
POLB P06746 1/20 0.47
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CASP1 P29466 2/20 0.44
CASP3 P42574 2/20 0.44
CASP7 P55210 2/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44

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
SCHEMBL3410968 0.83 HDAC3 (0.52) MCOLN3TSHRPKMPOLBPSEN1
SCHEMBL4126774 0.80 ALDH1A1 (0.52) PKMPOLBPSEN1PSEN2APH1B
SCHEMBL20869728 0.77 PKM (0.63) MCOLN3TSHRPKMPOLBPSEN1
SCHEMBL10870111 0.76 MCOLN3 (0.54) MCOLN3TSHRPKMLMNAALDH1A1
SCHEMBL3441809 0.75 HTR7 (0.46) MCOLN3PSEN1PSEN2APH1BNCSTN
SCHEMBL31107095 0.73 CASP3 (0.66) MCOLN3TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL2977241 0.72 ALDH1A1 (0.61) MCOLN3TSHRLMNAALDH1A1HCRTR1
SCHEMBL2977236 0.72 ALDH1A1 (0.61) MCOLN3TSHRLMNAALDH1A1HCRTR1
SCHEMBL3441934 0.72 HTR7 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10205614 0.72 PKM (0.44) MCOLN3TSHRPKMLMNASMN1; SMN2

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-2260043-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-15 EP claimed
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO claimed