SCHEMBL8624064

SCHEMBL8624064

COC(C)=C(C(=O)O)n1nc(-c2cccc(Cl)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
PDE4B Q07343 1/20 0.44
ABL1 P00519 1/20 0.40
MAPT P10636 5/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 3/20 0.39
CNR2 P34972 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
KMO O15229 2/20 0.39
TACR3 P29371 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
SCHEMBL3398387 0.81 PTGS2 (0.53) PTGS2PDE4BABL1MAPTTP53
SCHEMBL8311450 0.76 PTGS2 (0.44) PTGS2PDE4BABL1MAPTGAA
SCHEMBL13425935 0.75 PTGS2 (0.47) PTGS2PDE4BMAPTGAACNR2
SCHEMBL8309601 0.72 MAPT (0.52) PTGS2MAPTTP53GAAKDM4E
SCHEMBL8311952 0.70 LMNA (0.51) PTGS2MAPTTP53GAAKDM4E
SCHEMBL8310550 0.68 PTGS2 (0.48) PTGS2PDE4BMAPTGAACNR2
SCHEMBL10960418 0.68 CA12 (0.47) ABL1CNR2MEN1KMT2AL3MBTL1
SCHEMBL10876315 0.67 L3MBTL1 (0.45) PDE4BMAPTCNR2KDM4EMEN1
SCHEMBL14982241 0.66 MAPT (0.56) MAPTTP53GAAKDM4EMEN1
SCHEMBL3399098 0.65 PDE4B (0.49) PDE4BGAAKDM4EMAPK1F2RL3

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
JP-10168063-A None JP disclosed
JP-H10168063-A SUBSTITUTED PYRAZOLE DERIVATIVE, ITS PRODUCTION AND ANTIMICROBIAL AGENT CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT AND USEFUL FOR AGRICULTUTE AND HORTICULTURE SDS BIOTECH KK 1998-06-23 JP disclosed