SCHEMBL8555068

SCHEMBL8555068

COc1cccc(OC)c1-c1nc(Cc2ccccc2)oc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.50
SLC40A1 Q9NP59 4/20 0.46
LMNA P02545 2/20 0.43
MCOLN2 Q8IZK6 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MCOLN1 Q9GZU1 1/20 0.41
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GGT1 P19440 1/20 0.40
MAPK1 P28482 1/20 0.40
NR3C1 P04150 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LIMK2 P53671 1/20 0.39
EDNRA P25101 2/20 0.38
SCN9A Q15858 1/20 0.38
EDNRB P24530 1/20 0.38
HTR6 P50406 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 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
SCHEMBL8556679 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSLC40A1LMNAMCOLN2
SCHEMBL8557580 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSLC40A1LMNAMCOLN2
SCHEMBL8557951 0.90 ALDH1A1 (0.49) ALDH1A1MAPTSLC40A1LMNAMCOLN2
SCHEMBL8559957 0.85 MAPT (0.47) ALDH1A1MAPTSLC40A1LMNATSHR
SCHEMBL8560355 0.85 ALDH1A1 (0.53) ALDH1A1MAPTSLC40A1LMNATSHR
SCHEMBL8560974 0.85 ALDH1A1 (0.44) ALDH1A1MAPTSLC40A1SMN1; SMN2NR3C1
SCHEMBL8556335 0.83 MAPT (0.44) ALDH1A1MAPTSLC40A1LMNAMCOLN2
SCHEMBL8553397 0.83 ALDH1A1 (0.49) ALDH1A1MAPTSLC40A1LMNAGGT1
SCHEMBL8560689 0.83 ALDH1A1 (0.45) ALDH1A1MAPTSLC40A1LMNATSHR
SCHEMBL8557661 0.83 ALDH1A1 (0.45) ALDH1A1MAPTSLC40A1LMNAGGT1

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed