SCHEMBL8560974

SCHEMBL8560974

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CDK9 P50750 6/20 0.42
CCNT1 O60563 4/20 0.42
SCN9A Q15858 7/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CDK2 P24941 3/20 0.41
CYP17A1 P05093 2/20 0.41
SLC40A1 Q9NP59 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
AR P10275 1/20 0.41
KCNH2 Q12809 1/20 0.40
CCNE1 P24864 1/20 0.39

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
SCHEMBL8557951 0.90 ALDH1A1 (0.49) ALDH1A1MAPTCDK9CCNT1SCN9A
SCHEMBL8557661 0.89 ALDH1A1 (0.45) ALDH1A1MAPTCDK9CCNT1SCN9A
SCHEMBL8560880 0.89 MAPT (0.48) ALDH1A1MAPTCDK9CCNT1SCN9A
SCHEMBL8559711 0.87 MAPT (0.47) ALDH1A1MAPTCDK9CCNT1SLC40A1
SCHEMBL8560599 0.87 MAPT (0.46) ALDH1A1MAPTCDK9CCNT1SLC40A1
SCHEMBL8555187 0.85 MAPT (0.46) ALDH1A1MAPTSLC40A1PGR
SCHEMBL8555068 0.85 ALDH1A1 (0.50) ALDH1A1MAPTSCN9ASMN1; SMN2SLC40A1
SCHEMBL8554227 0.85 CCNT1 (0.49) ALDH1A1MAPTCDK9CCNT1SMN1; SMN2
SCHEMBL8556318 0.85 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2SLC40A1PGR
SCHEMBL8556679 0.84 ALDH1A1 (0.46) ALDH1A1MAPTCDK9CCNT1SCN9A

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