SCHEMBL14182729

SCHEMBL14182729

COc1ccc(C(=O)Nc2ccc(-c3cc4cc(NC(=O)C5CCC(C)CC5)ccc4[nH]3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.55
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ TP53 P04637 3/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ ITK Q08881 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ MAPK14 Q16539 1/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44

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
SCHEMBL14182768 1.00 KCNQ2 (0.55) KCNQ2MAPTKDM4EALDH1A1RAB9A
SCHEMBL14182862 0.95 PLAU (0.52) KCNQ2MAPTKDM4EALDH1A1RAB9A
SCHEMBL14182759 0.92 MAOA (0.56) KCNQ2MAPTKDM4EALDH1A1RAB9A
SCHEMBL14182705 0.92 MAOA (0.56) KCNQ2MAPTKDM4EALDH1A1RAB9A
SCHEMBL14182757 0.92 MAOA (0.56) KCNQ2MAPTKDM4EALDH1A1RAB9A
SCHEMBL14182725 0.89 MAOA (0.47) MAPTRAB9ANPC1ABCB1MEN1
SCHEMBL14182737 0.89 MAOA (0.54) MAPTRAB9ANPC1ITKMEN1
SCHEMBL14182716 0.89 MAOA (0.54) MAPTRAB9ANPC1ITKMEN1
SCHEMBL14182718 0.87 MAOA (0.57) KCNQ2RAB9ANPC1ITKMEN1
SCHEMBL14182712 0.87 ALDH1A1 (0.47) MAPTALDH1A1TP53ITKKMT2A

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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