SCHEMBL28475433

SCHEMBL28475433

COC(=O)c1ccc2c(C(C)Nc3ncc(C(F)(F)F)cc3Cl)nn(C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ADORA2A P29274 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
SCHEMBL28475260 0.91 TDP1 (0.46) GAALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28482013 0.83 SCN9A (0.52) —
SCHEMBL28473635 0.81 L3MBTL1 (0.46) GAALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28475542 0.74 MAPT (0.49) GAALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL23535685 0.72 ALDH1A1 (0.40) GAASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL30040757 0.72 ALDH1A1 (0.40) GAASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL28470048 0.72 MAPT (0.56) GAALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28480695 0.72 TDP1 (0.47) GAALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28470424 0.71 KDM4E (0.42) GAASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL30204298 0.70 NPC1 (0.54) GAALMNASMN1; SMN2ALDH1A1KDM4E

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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