SCHEMBL14182902

SCHEMBL14182902

O=C(Nc1ccccc1)c1ccc2[nH]c(-c3ccc(NC(=O)C4CCCCCC4)cc3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.56
▸ KCNK9 Q9NPC2 1/20 0.56
▸ HPGD P15428 2/20 0.53
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ ITK Q08881 2/20 0.52
▸ PTPN1 P18031 2/20 0.50
▸ NR2E3 Q9Y5X4 2/20 0.48
▸ SLC2A1 P11166 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RXFP2 Q8WXD0 1/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ CLK3 P49761 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL14183016 1.00 KCNK3 (0.56) KCNK3KCNK9HPGDMAOAMAOB
SCHEMBL14182732 0.92 KCNK3 (0.61) KCNK3KCNK9HPGDMAOAMAOB
SCHEMBL14182743 0.92 KCNK3 (0.61) KCNK3KCNK9HPGDMAOAMAOB
SCHEMBL14182710 0.92 KCNK3 (0.61) KCNK3KCNK9HPGDMAOAMAOB
SCHEMBL14182904 0.91 MAOA (0.52) KCNK3KCNK9MAOAMAOBITK
SCHEMBL14182903 0.91 MAOA (0.52) KCNK3KCNK9MAOAMAOBITK
SCHEMBL14182914 0.90 CLK2 (0.51) KCNK3KCNK9MAOAMAOBITK
SCHEMBL14182846 0.90 SLC2A1 (0.48) KCNK3KCNK9MAOAMAOBITK
SCHEMBL14182900 0.90 CLK2 (0.51) KCNK3KCNK9MAOAMAOBITK
SCHEMBL14182913 0.90 KDM4E (0.52) MAOAMAOBITKCLK2CLK3

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
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
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