SCHEMBL29915751

SCHEMBL29915751

C=Cc1ccc(C(N)=O)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
NNMT P40261 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GRM5 P41594 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
HPGDS O60760 1/20 0.41
PARP10 Q53GL7 1/20 0.38
VNN1 O95497 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL29923668 1.00 KDM4E (0.64) KDM4EL3MBTL1NNMTSMN1; SMN2GRM5
SCHEMBL845436 0.82 P4HA1 (0.55) KDM4EL3MBTL1
SCHEMBL4756343 0.82 KDM4E (0.66) KDM4EL3MBTL1NNMTSMN1; SMN2GRM5
SCHEMBL31003291 0.81 KCNJ1 (0.42) KDM4EL3MBTL1SMN1; SMN2
SCHEMBL21581694 0.81 UBE2T (0.45) KDM4EL3MBTL1
SCHEMBL932013 0.81 KCNJ1 (0.42) KDM4EL3MBTL1SMN1; SMN2
SCHEMBL846377 0.77 MAPK1 (0.59) KDM4EL3MBTL1HPGDS
SCHEMBL1515578 0.77 KDM4E (0.58) KDM4EL3MBTL1NNMTSMN1; SMN2GRM5
SCHEMBL31601570 0.77 MAPK1 (0.59) KDM4EL3MBTL1HPGDS
SCHEMBL27876298 0.77 KDM4E (0.46) KDM4EL3MBTL1SMN1; SMN2

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-3798214-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2022-09-14 EP claimed