SCHEMBL8553249

SCHEMBL8553249

Cc1ccc(S(=O)(=O)NC(=O)Nc2c(C#N)cnn2C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.51
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 2/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
LMNA P02545 3/20 0.46
AKR1C3 P42330 1/20 0.46
FPR1 P21462 3/20 0.45
NLRP3 Q96P20 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8553685 0.84 FBP1 (0.44) PTGS1PTGS2ALDH1A1KDM4ENLRP3
SCHEMBL8554538 0.83 PTGS1 (0.54) PTGS1PTGS2ALDH1A1KDM4ETP53
SCHEMBL8556342 0.81 PTGS2 (0.72) PTGS1PTGS2ALDH1A1KDM4ETP53
SCHEMBL8554553 0.78 PTGS2 (0.66) PTGS1PTGS2GAALMNAFPR1
SCHEMBL8553129 0.77 PTGS2 (0.66) PTGS1PTGS2ALDH1A1LMNAFPR1
SCHEMBL8550834 0.77 PTGS2 (0.66) PTGS1PTGS2ALDH1A1MAPTLMNA
SCHEMBL8552699 0.77 PTGS1 (0.55) PTGS1PTGS2ALDH1A1GAAKDM4E
SCHEMBL8552523 0.77 PTGS2 (0.66) PTGS1PTGS2ALDH1A1KDM4ELMNA
SCHEMBL8553312 0.77 PTGS1 (0.46) PTGS1PTGS2ALDH1A1GAAKDM4E
SCHEMBL8551562 0.76 FPR1 (0.52) PTGS1PTGS2ALDH1A1GAAKDM4E

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

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