SCHEMBL13543314

SCHEMBL13543314

CC(C)(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ POLB P06746 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ F10 P00742 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TSHR P16473 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
SCHEMBL13543501 0.86 POLB (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPOLB
SCHEMBL13543309 0.85 MAPT (0.43) TDP1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL13543283 0.80 GSTO1 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPOLB
SCHEMBL13543285 0.80 GSTO1 (0.62) POLBL3MBTL1ALDH1A1KDM4EF10
SCHEMBL13542961 0.78 IDH2 (0.47) ALDH1A1MAPTKMT2ATSHRIDH2
SCHEMBL13542942 0.75 ATM (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPOLB
SCHEMBL5504049 0.72 CA1 (0.48) POLBL3MBTL1TDP1HSD17B10KDM4E
SCHEMBL13543287 0.72 SMN1; SMN2 (0.51) POLBL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL13543493 0.71 PTK2B (0.58) POLBL3MBTL1TDP1MAPTSMN1; SMN2
SCHEMBL13544674 0.71 ATM (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPOLB

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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
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