SCHEMBL8557951

SCHEMBL8557951

COc1ccccc1-c1nc(Cc2ccccc2)oc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
SLC40A1 Q9NP59 3/20 0.45
LMNA P02545 2/20 0.43
MCOLN2 Q8IZK6 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
MCOLN1 Q9GZU1 1/20 0.40
LIMK2 P53671 1/20 0.40
TSHR P16473 2/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
MAPK1 P28482 1/20 0.40
GGT1 P19440 1/20 0.40
RXRA P19793 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 3/20 0.39
KDM1A O60341 1/20 0.39
PTGER4 P35408 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
SCHEMBL8555068 0.90 ALDH1A1 (0.50) ALDH1A1MAPTSLC40A1LMNAMCOLN2
SCHEMBL8560974 0.90 ALDH1A1 (0.44) ALDH1A1MAPTSLC40A1CCNT1CDK9
SCHEMBL8557661 0.89 ALDH1A1 (0.45) ALDH1A1MAPTSLC40A1LMNACCNT1
SCHEMBL8560689 0.89 ALDH1A1 (0.45) ALDH1A1MAPTSLC40A1LMNATSHR
SCHEMBL8560880 0.88 MAPT (0.48) ALDH1A1MAPTSLC40A1LMNACCNT1
SCHEMBL8556679 0.85 ALDH1A1 (0.46) ALDH1A1MAPTSLC40A1LMNAMCOLN2
SCHEMBL8557580 0.85 ALDH1A1 (0.46) ALDH1A1MAPTSLC40A1LMNAMCOLN2
SCHEMBL8558680 0.85 ALDH1A1 (0.52) ALDH1A1MAPTSLC40A1LMNALIMK2
SCHEMBL8555983 0.85 ALDH1A1 (0.45) ALDH1A1MAPTSLC40A1LMNATSHR
SCHEMBL8557783 0.85 ALDH1A1 (0.45) ALDH1A1MAPTSLC40A1LMNALIMK2

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