SCHEMBL29094420

SCHEMBL29094420

O=C(O)Nc1cc2[nH]c(C(F)(F)F)cc2cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MAOB P27338 3/20 0.36
▸ ABL1 P00519 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL27197049 0.85 PIK3C3 (0.39) MAPK1KDM4E
SCHEMBL30595575 0.84 ABL1 (0.42) MAOBABL1MAPK1GSK3BDYRK1A
SCHEMBL27196842 0.84 ABL1 (0.42) MAOBABL1MAPK1GSK3BDYRK1A
SCHEMBL27197026 0.84 ABL1 (0.50) ABL1
SCHEMBL27197253 0.82 ABL1 (0.49) ABL1
SCHEMBL27196990 0.82 ABL1 (0.50) ABL1
SCHEMBL27196808 0.79 ABL1 (0.48) ABL1MAPK1GSK3BDYRK1A
SCHEMBL29776305 0.77 DYRK1A (0.53) GSK3BDYRK1A
SCHEMBL29776474 0.77 DYRK1A (0.52) ABL1GSK3BDYRK1A
SCHEMBL27197104 0.77 DYRK1A (0.52) ABL1GSK3BDYRK1A

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-116685318-A Heterocyclic compounds and their use for parasitic diseases 细胞基因公司 2023-09-01 — — CN claimed
CN-116685318-A Heterocyclic compounds and their use for parasitic diseases 细胞基因公司 2023-09-01 — — CN disclosed
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