SCHEMBL31019691

SCHEMBL31019691

COC(=O)c1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.56
PTGER2 P43116 1/20 0.54
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RY1 P47900 1/20 0.42
ATM Q13315 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PPARG P37231 2/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9545283 0.84 PTGER4 (0.66) PTGER4PTGER2MAPTSMN1; SMN2POLB
SCHEMBL876555 0.84 PTGER4 (0.68) PTGER4PTGER2MAPTSMN1; SMN2POLB
SCHEMBL31019726 0.84 MAPT (0.51) PTGER4PTGER2MAPTSMN1; SMN2POLB
SCHEMBL31019695 0.82 PTGER4 (0.58) PTGER4PTGER2MAPTSMN1; SMN2POLB
SCHEMBL31019720 0.81 PTGER4 (0.58) PTGER4PTGER2MAPTSMN1; SMN2POLB
SCHEMBL876698 0.81 PTGER4 (0.70) PTGER4PTGER2MAPTSMN1; SMN2POLB
SCHEMBL31019684 0.81 PTGER4 (0.45) PTGER4PTGER2MAPTSMN1; SMN2POLB
SCHEMBL31019688 0.80 MAPT (0.47) PTGER4PTGER2MAPTSMN1; SMN2POLB
SCHEMBL881254 0.73 PTGER4 (0.71) PTGER4PTGER2SMN1; SMN2POLB
SCHEMBL876601 0.73 KDM4E (0.57) PTGER4PTGER2MAPTSMN1; SMN2POLB

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
WO-2024162284-A1 PYRAZOLE-4-CARBOXAMIDE COMPOUND AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT USING SAME クミアイ化学工業株式会社 2024-08-08 WO disclosed