SCHEMBL29590684

SCHEMBL29590684

O=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1)c1ccc(F)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 8/20 0.61
▸ KCNQ2 O43526 8/20 0.61
▸ MAPT P10636 5/20 0.48
▸ TP53 P04637 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ MAOB P27338 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ KCNE1 P15382 1/20 0.43
▸ KCNQ1 P51787 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ KCNQ5 Q9NR82 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TRPV1 Q8NER1 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
SCHEMBL14784267 1.00 KCNQ3 (0.61) KCNQ3KCNQ2MAPTTP53SMN1; SMN2
SCHEMBL14783300 0.92 HDAC3 (0.55) KCNQ3KCNQ2MAPTSMN1; SMN2HDAC3
SCHEMBL29592422 0.92 KCNQ3 (0.63) KCNQ3KCNQ2MAPTTP53SMN1; SMN2
SCHEMBL14783103 0.92 KCNQ3 (0.63) KCNQ3KCNQ2MAPTTP53SMN1; SMN2
SCHEMBL29590918 0.92 HDAC3 (0.55) KCNQ3KCNQ2MAPTSMN1; SMN2HDAC3
SCHEMBL14784252 0.92 KCNQ3 (0.49) KCNQ3KCNQ2MAPTTP53SMN1; SMN2
SCHEMBL29590104 0.92 KCNQ3 (0.49) KCNQ3KCNQ2MAPTTP53SMN1; SMN2
SCHEMBL14784329 0.91 MAPT (0.58) KCNQ3KCNQ2MAPTTP53SMN1; SMN2
SCHEMBL29590232 0.91 MAPT (0.58) KCNQ3KCNQ2MAPTTP53SMN1; SMN2
SCHEMBL14783857 0.91 KCNQ3 (0.56) KCNQ3KCNQ2MAPTTP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 — — CN disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 — — CN disclosed
Send feedback