SCHEMBL29051296

SCHEMBL29051296

Cn1ccc2nc(Cl)nc(Nc3ccccc3)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.50
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PIN1 Q13526 2/20 0.40
▸ EGFR P00533 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ERBB2 P04626 1/20 0.38
▸ ERBB3 P21860 1/20 0.38
▸ ERBB4 Q15303 1/20 0.38
▸ CDK19 Q9BWU1 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL18194347 0.80 KMT2A (0.39) KDRMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL22587402 0.77 GAA (0.48) MEN1MAPTMAPK1KMT2ANFKB1
SCHEMBL18194324 0.75 MAPT (0.45) MAPTMAPK1KMT2AKDM4ESMN1; SMN2
SCHEMBL30426632 0.74 TDP1 (0.57) KDRMEN1MAPTMAPK1KMT2A
SCHEMBL18194325 0.73 PIP4K2C (0.41) MAPTEGFRERBB2ERBB3ERBB4
SCHEMBL24175602 0.73 PAK4 (0.52) MEN1KMT2A
SCHEMBL30960995 0.73 NPY5R (0.66) MEN1MAPTMAPK1KMT2ANFKB1
SCHEMBL2257238 0.73 NPY5R (0.66) MEN1MAPTMAPK1KMT2ANFKB1
SCHEMBL1716246 0.72 PRMT5 (0.33) KDRSMN1; SMN2
SCHEMBL20273937 0.70 IRAK4 (0.46) KMT2ANFKB1RAB9A

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-116178374-B Small-conductance calcium-activated potassium ion channel agonist, synthesis and application thereof 河北医科大学 2024-10-08 — — CN disclosed
CN-116178374-A Small-conductance calcium-activated potassium ion channel agonist, synthesis and application thereof 河北医科大学 2023-05-30 — — CN disclosed
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