SCHEMBL21048901

SCHEMBL21048901

CS(=O)(=O)N(c1ccc(F)cc1C#N)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.36
SLC22A12 Q96S37 2/20 0.34
PTGS1 P23219 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPAS1 Q99814 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
KCNH2 Q12809 1/20 0.33
PER2 O15055 4/20 0.33
CRY1 Q16526 4/20 0.33
CRY2 Q49AN0 4/20 0.33
PTPN1 P18031 1/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
USP47 Q96K76 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL17258804 0.81 HCRTR1 (0.40) ALDH1A1HTTUSP8USP7MAPT
SCHEMBL17258915 0.80 VCAM1 (0.39) SLC22A12MEN1KMT2AEPAS1ALDH1A1
SCHEMBL6573160 0.79 TRPV4 (0.36) PTGS2EPAS1ALDH1A1HTTPTPN1
SCHEMBL21048771 0.78 GLA (0.41) MEN1KMT2AALDH1A1USP8MAPT
SCHEMBL17258696 0.75 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HTTPTPN1
SCHEMBL7679161 0.74 KHK (0.35) MEN1KMT2APTPN1
SCHEMBL29212553 0.74 EPAS1 (0.44) PTGS2PTGS1MEN1KMT2AEPAS1
SCHEMBL6660474 0.74 KMT2A (0.36) PTGS2PTGS1KMT2AEPAS1PER2
SCHEMBL4593998 0.73 TRPV4 (0.36) PER2CRY1CRY2
SCHEMBL31652674 0.71 PTPN1 (0.36) ALDH1A1HTTPTPN1USP8USP7

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-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed