SCHEMBL28480695

SCHEMBL28480695

Cn1nc(CNc2ncc(C(F)(F)F)cc2Cl)c2ccc(C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ POLB P06746 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MC4R P32245 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ PPARG P37231 1/20 0.42

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
SCHEMBL28473635 0.91 L3MBTL1 (0.46) TDP1L3MBTL1ALDH1A1POLBMEN1
SCHEMBL28472696 0.84 SCN9A (0.51) PKMGAA
SCHEMBL28475260 0.80 TDP1 (0.46) TDP1L3MBTL1ALDH1A1POLBMEN1
SCHEMBL28473486 0.77 SCN9A (0.41) L3MBTL1MEN1KMT2AKDM4EMRGPRX4
SCHEMBL28472217 0.72 GRM4 (0.49) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL28475433 0.72 GAA (0.45) TDP1L3MBTL1ALDH1A1POLBMEN1
SCHEMBL28366479 0.71 TDP1 (0.58) TDP1L3MBTL1ALDH1A1POLBMEN1
SCHEMBL14271520 0.70 SLC22A12 (0.36) ALDH1A1LMNAKDM4E
SCHEMBL4261343 0.69 SLC22A12 (0.60) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL30204934 0.69 SCN9A (0.46) L3MBTL1ALDH1A1MEN1KMT2APKM

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-111825595-A Sodium channel blockers 山东轩竹医药科技有限公司 2020-10-27 — — CN disclosed
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