SCHEMBL8553171

SCHEMBL8553171

CCCCc1nn(-c2ccccc2)c(NC(=O)NS(=O)(=O)c2ccccc2C)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
CA12 O43570 3/20 0.40
FPR1 P21462 4/20 0.40
FBP1 P09467 1/20 0.39
TBXA2R P21731 2/20 0.39
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK14 Q16539 1/20 0.35
ABCB1 P08183 2/20 0.34
JAK2 O60674 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
SCHEMBL8556060 0.91 GAA (0.47) NTRK1CA1CA2CA9CA12
SCHEMBL8552811 0.88 FPR1 (0.45) NTRK1FPR1GAAKDM4E
SCHEMBL8557247 0.85 NTRK1 (0.51) NTRK1CA1CA2CA9CA12
SCHEMBL8554704 0.82 CA1 (0.43) NTRK1CA1CA2CA9CA12
SCHEMBL8556018 0.78 LMNA (0.48) NTRK1FPR1GAAKDM4E
SCHEMBL8552919 0.76 FPR1 (0.44) NTRK1FPR1GAAKDM4E
SCHEMBL8554369 0.75 GAA (0.46) NTRK1CA1CA2CA9CA12
SCHEMBL8555582 0.75 LMNA (0.47) NTRK1FPR1GAAKDM4E
SCHEMBL8555845 0.75 LMNA (0.47) NTRK1FPR1GAAKDM4E
SCHEMBL8554179 0.75 PTGS1 (0.54) CA1CA2CA9CA12FPR1

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