SCHEMBL4442102

SCHEMBL4442102

CS(=O)(=O)c1ccccc1-c1nc2cc(F)ccc2cc1CCNC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.44
ALDH1A1 P00352 1/20 0.41
ADRA1D P25100 4/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
DHODH Q02127 3/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.36
PIK3CA P42336 4/20 0.36
NQO2 P16083 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PDK1 Q15118 2/20 0.35
DHFR P00374 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL15320830 0.83 PIK3CD (0.48) PIK3CDADRA1DADRA1AADRA1BDHODH
SCHEMBL15320119 0.83 ALDH1A1 (0.41) ALDH1A1DHODHPDK1DHFRALKBH5
SCHEMBL16443651 0.78 PIK3CD (0.44) PIK3CDDHODHPIK3CADHFRALKBH5
SCHEMBL4184357 0.77 PIK3CD (0.59) PIK3CDDHODHPIK3CADHFRALKBH5
SCHEMBL4184351 0.77 PIK3CD (0.59) PIK3CDDHODHPIK3CADHFRALKBH5
SCHEMBL4442917 0.76 PIK3CD (0.42) PIK3CDADRA1DADRA1AADRA1BPIK3CA
SCHEMBL15320238 0.75 PIK3CD (0.58) PIK3CDPIK3CA
SCHEMBL19331525 0.75 PIK3CD (0.69) PIK3CDPIK3CA
SCHEMBL16443649 0.75 PIK3CD (0.49) PIK3CDDHODHPIK3CAPDK1
SCHEMBL4442100 0.75 PIK3CD (0.43) PIK3CDDHODHPTGDR2PIK3CAPDK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834231-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2015-02-11 EP disclosed
WO-2013152150-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-10-10 WO disclosed
EP-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed