SCHEMBL29812239

SCHEMBL29812239

COc1c(C(N)=O)nnc(C)c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
LRRK2 Q5S007 2/20 0.39
GRM2 Q14416 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL29812688 0.87 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL23147598 0.87 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL29812395 0.85 MAPT (0.47) MAPTLRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL29812726 0.85 LRRK2 (0.42) MAPTLRRK2NPC1RAB9AKDM4E
SCHEMBL30174281 0.83 GABRA5 (0.36) LRRK2NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL29812433 0.82 LRRK2 (0.38) LRRK2GRM2SLC9A1
SCHEMBL29812046 0.81 LRRK2 (0.50) MAPTLRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL29812252 0.73 SQOR (0.47) MAPTGRM2NPC1RAB9ASMN1; SMN2
SCHEMBL23147590 0.73 MAPT (0.46) MAPTALDH1A1HSD17B10TSHRHPGD
SCHEMBL23146800 0.72 RAB9A (0.47) MAPTNPC1RAB9ASMN1; SMN2CASP3

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
CN-114787144-A Pyridone compounds and methods for modulating protein kinases 埃克塞里艾克西斯公司 2022-07-22 CN disclosed