SCHEMBL8554124

SCHEMBL8554124

CC(C)(C)OC(=O)Nc1c(C#N)c(CCOS(C)(=O)=O)nn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NTRK1 P04629 3/20 0.39
GAA P10253 1/20 0.36
TTK P33981 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CTSS P25774 6/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 3/20 0.34
NTRK2 Q16620 1/20 0.34
CTSK P43235 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
LPAR1 Q92633 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
SCHEMBL8552888 0.87 NPC1 (0.40) NPC1LMNATP53RAB9AKMT2A
SCHEMBL8550425 0.85 NPC1 (0.39) NPC1LMNATP53RAB9AKMT2A
SCHEMBL4463941 0.68 LMNA (0.41) LMNACTSLCA12CA1CA7
SCHEMBL8553146 0.68 NTRK1 (0.54) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL17129871 0.68 CTSS (0.43) NPC1LMNATP53RAB9AKMT2A
SCHEMBL8553171 0.68 NTRK1 (0.41) NTRK1GAAKDM4ECA12CA1
SCHEMBL31440028 0.68 GSK3B (0.35) LMNAKDM4ECA12CA1
SCHEMBL17129866 0.67 NTRK1 (0.44) NTRK1CTSSCTSLCTSBCTSK
SCHEMBL8556060 0.67 GAA (0.47) NTRK1GAAKDM4ECA12CA1
SCHEMBL8552811 0.66 FPR1 (0.45) LMNAKMT2ANTRK1GAAKDM4E

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