SCHEMBL5881085

SCHEMBL5881085

O=S(=O)(NC1C=CC=C2C1=Nc1ccccc12)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
NAT1 P18440 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MCOLN2 Q8IZK6 2/20 0.33
MCOLN1 Q9GZU1 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP13 P45452 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL5881023 0.73
SCHEMBL5881066 0.72 GRIN2B (0.35) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5880902 0.70 SIGMAR1 (0.38) MEN1KMT2AHPGD
SCHEMBL28102667 0.69 IDO1 (0.31)
SCHEMBL3976323 0.68
SCHEMBL28253806 0.68
SCHEMBL5881024 0.68 SIGMAR1 (0.39)
SCHEMBL5881020 0.68 TDP1 (0.33) MEN1KMT2ATDP1
SCHEMBL28285476 0.68 TTK (0.30) TTKMAPK8MAPK9MAPK10
SCHEMBL4566706 0.67

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
US-7122570-B2 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2006-10-17 US disclosed