SCHEMBL28091075

SCHEMBL28091075

N#Cc1ccc2c(c1)c(C(Cl)(Cl)Cl)nc1ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ SLC2A3 P11169 1/20 0.34
▸ SLC2A4 P14672 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ BCHE P06276 4/20 0.33
▸ ACHE P22303 4/20 0.33
▸ GRIN1 Q05586 4/20 0.33
▸ GRIN2A Q12879 4/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL28091366 0.84 KDM1A (0.45) MAPTKDM1ALMNAPIN1
SCHEMBL28833015 0.82 KDM1A (0.43) MAPTKDM1ALMNASMN1; SMN2HIF1A
SCHEMBL28228966 0.81 ACHE (0.39) MAPTBCHEACHEGRIN1GRIN2A
SCHEMBL28833010 0.77 KMT2A (0.39) RXFP1ACHELMNASMN1; SMN2
SCHEMBL28732552 0.70 ACP1 (0.43) MAPTKDM1ALMNAPOLBHTT
SCHEMBL29375294 0.66 PIN1 (0.38) KDM1AHIF1APIN1
SCHEMBL22401515 0.66 PIN1 (0.38) KDM1AHIF1APIN1
SCHEMBL28091133 0.64 MAPT (0.44) MAPTKDM1ALMNAPOLBHTT
SCHEMBL30540334 0.64 NT5E (0.60) SLC2A1SLC2A3SLC2A4LMNAPOLB
SCHEMBL26390753 0.64 HTT (0.73) MAPTCDK2CLK1NPSR1PIK3CD

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-105859620-A 6-trichloromethyl phenanthridine compounds and preparation method and application thereof 大连理工大学 2016-08-17 — — CN disclosed
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