SCHEMBL8554227

SCHEMBL8554227

COc1cc(F)ccc1-c1oc(Cc2ccccc2)nc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 10/20 0.49
CDK9 P50750 10/20 0.49
SMN1; SMN2 Q16637 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
CCNE1 P24864 5/20 0.41
CDK2 P24941 5/20 0.41
CYP17A1 P05093 2/20 0.41
SLC40A1 Q9NP59 1/20 0.41
CCNE2 O96020 2/20 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
CCNK O75909 1/20 0.40
CDK1 P06493 1/20 0.40
YES1 P07947 1/20 0.40
LYN P07948 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
SCHEMBL8559800 0.90 SLC40A1 (0.45) CCNT1CDK9SMN1; SMN2SLC40A1MAPT
SCHEMBL8559037 0.89 MAPT (0.46) SMN1; SMN2PIK3CDPIK3CGCYP17A1SLC40A1
SCHEMBL8556141 0.89 KAT6A (0.46) CCNT1CDK9CYP17A1SLC40A1PGR
SCHEMBL8558352 0.87 MAPT (0.42) CCNT1CDK9PIK3CDPIK3CAPIK3CB
SCHEMBL8559918 0.87 MAPT (0.41) CCNT1CDK9PIK3CDPIK3CAPIK3CB
SCHEMBL8561140 0.85 MAPT (0.41) PIK3CDPIK3CAPIK3CBPIK3CGSLC40A1
SCHEMBL8560974 0.85 ALDH1A1 (0.44) CCNT1CDK9SMN1; SMN2CCNE1CDK2
SCHEMBL8556822 0.85 PIK3CG (0.43) PIK3CDPIK3CAPIK3CBPIK3CGSLC40A1
SCHEMBL8553427 0.84 PIK3CD (0.48) SMN1; SMN2PIK3CDPIK3CGSLC40A1PGR
SCHEMBL8556335 0.84 MAPT (0.44) SMN1; SMN2SLC40A1NR3C1MAPTALDH1A1

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