SCHEMBL8552888

SCHEMBL8552888

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
TTK P33981 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NTRK1 P04629 2/20 0.38
CTSS P25774 6/20 0.37
CTSL P07711 3/20 0.37
CTSB P07858 3/20 0.37
CTSK P43235 3/20 0.36
NTRK2 Q16620 1/20 0.36
LPAR1 Q92633 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
USP7 Q93009 1/20 0.35

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
SCHEMBL8550425 0.89 NPC1 (0.39) NPC1LMNATP53RAB9AKMT2A
SCHEMBL8554124 0.87 NPC1 (0.39) NPC1LMNATP53RAB9AKMT2A
SCHEMBL8556673 0.73 PTGES (0.40) LMNAKMT2ASMN1; SMN2NTRK1ALDH1A1
SCHEMBL8553146 0.72 NTRK1 (0.54) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL17129871 0.71 CTSS (0.43) NPC1LMNATP53RAB9AKMT2A
SCHEMBL17129880 0.71 NTRK1 (0.42) NPC1LMNATP53RAB9AKMT2A
SCHEMBL17129866 0.71 NTRK1 (0.44) NTRK1CTSSCTSLCTSBCTSK
SCHEMBL13974685 0.70 MAPT (0.43) NPC1LMNARAB9AKMT2AGAA
SCHEMBL29633280 0.69 NTRK1 (0.54) NPC1LMNATP53RAB9AKMT2A
SCHEMBL17129865 0.69 NTRK1 (0.52) NPC1LMNATP53RAB9AKMT2A

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