SCHEMBL8560880

SCHEMBL8560880

COc1cc(Cl)ccc1-c1nc(Cc2ccccc2)oc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
SCN9A Q15858 6/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
FBP1 P09467 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
CYP17A1 P05093 1/20 0.41
PGR P06401 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR9 P51686 1/20 0.40

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
SCHEMBL8557661 0.89 ALDH1A1 (0.45) MAPTALDH1A1LMNASCN9ACCNT1
SCHEMBL8560974 0.89 ALDH1A1 (0.44) MAPTALDH1A1SCN9ACCNT1CDK9
SCHEMBL8557951 0.88 ALDH1A1 (0.49) MAPTALDH1A1LMNASCN9ACCNT1
SCHEMBL8553419 0.87 ALDH1A1 (0.50) MAPTALDH1A1LMNASCN9AFBP1
SCHEMBL8556399 0.87 MAPT (0.49) MAPTALDH1A1LMNAFBP1SLC40A1
SCHEMBL8559381 0.85 ALDH1A1 (0.49) MAPTALDH1A1LMNAFBP1SLC40A1
SCHEMBL8556141 0.85 KAT6A (0.46) MAPTALDH1A1LMNASCN9ACCNT1
SCHEMBL8554218 0.85 ALDH1A1 (0.44) MAPTALDH1A1LMNASLC40A1AVPR2
SCHEMBL8560689 0.83 ALDH1A1 (0.45) MAPTALDH1A1LMNASCN9ASLC40A1
SCHEMBL8559468 0.83 ALDH1A1 (0.44) MAPTALDH1A1LMNASCN9ASLC40A1

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