SCHEMBL8553308

SCHEMBL8553308

Cc1ccc(S(=O)(=O)NC(=O)Nc2c(C#N)cnn2C2=NCCN2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.52
PTGS2 P35354 7/20 0.52
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 2/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
FPR1 P21462 1/20 0.40
NLRP3 Q96P20 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
PPARG P37231 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL8556342 0.83 PTGS2 (0.72) PTGS1PTGS2ALDH1A1KDM4ETP53
SCHEMBL8554553 0.81 PTGS2 (0.66) PTGS1PTGS2GAAFPR1LMNA
SCHEMBL8554850 0.79 PTGS2 (0.53) PTGS1PTGS2ALDH1A1KDM4EFPR1
SCHEMBL8552699 0.79 PTGS1 (0.55) PTGS1PTGS2ALDH1A1KDM4ETP53
SCHEMBL8552523 0.79 PTGS2 (0.66) PTGS1PTGS2ALDH1A1KDM4EFPR1
SCHEMBL8550834 0.79 PTGS2 (0.66) PTGS1PTGS2ALDH1A1MAPTFPR1
SCHEMBL8553129 0.79 PTGS2 (0.66) PTGS1PTGS2ALDH1A1FPR1SMN1; SMN2
SCHEMBL8554538 0.79 PTGS1 (0.54) PTGS1PTGS2ALDH1A1KDM4ETP53
SCHEMBL8557299 0.77 PTGS1 (0.53) PTGS1PTGS2ALDH1A1KDM4ETP53
SCHEMBL8555161 0.77 PTGS2 (0.53) PTGS1PTGS2ALDH1A1KDM4EFPR1

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-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed