SCHEMBL17908014

SCHEMBL17908014

CS(=O)(=O)c1ccc(C(=O)O)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
CNR2 P34972 2/20 0.43
SRD5A2 P31213 2/20 0.41
CDC25B P30305 1/20 0.41
ALKBH2 Q6NS38 1/20 0.40
ALKBH3 Q96Q83 1/20 0.40
FTO Q9C0B1 1/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
P4HB P07237 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PKM P14618 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
SCHEMBL31401027 0.87 CDC25B (0.45) EGLN1SRD5A2CDC25BALKBH2ALKBH3
SCHEMBL4639489 0.85 HSD11B1 (0.44) ABCB11PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9018690 0.79 CDC25B (0.44) EGLN1CDC25BPOLBPKMMEN1
SCHEMBL5405584 0.78 CDC25B (0.53) CDC25BPOLBPKMKMT2A
SCHEMBL25316229 0.77 PIK3CD (0.43) ABCB11PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8780064 0.77 HTT (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCDC25B
SCHEMBL4597784 0.77 LMNA (0.51) EGLN1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29499772 0.77 LMNA (0.51) EGLN1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31325736 0.77 HTT (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCDC25B
SCHEMBL6298331 0.77 RARB (0.46) SRD5A2POLBP4HBRXRARXRB

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
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed