SCHEMBL14182765

SCHEMBL14182765

COc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)C5CCCCC5C)cc4)cc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.53
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ TP53 P04637 2/20 0.46
▸ PLAU P00749 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPK14 Q16539 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ THRB P10828 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42

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
SCHEMBL14182726 0.89 ROCK2 (0.44) MAPTRAB9ANPC1ABCB1MEN1
SCHEMBL14182776 0.89 PTPN1 (0.46) MAPTRAB9ANPC1ABCB1MEN1
SCHEMBL14182735 0.89 MAOA (0.52) KCNQ2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14182724 0.89 MAOA (0.52) KCNQ2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14182705 0.88 MAOA (0.56) KCNQ2MAPTALDH1A1KDM4ERAB9A
SCHEMBL14182759 0.88 MAOA (0.56) KCNQ2MAPTALDH1A1KDM4ERAB9A
SCHEMBL14182757 0.88 MAOA (0.56) KCNQ2MAPTALDH1A1KDM4ERAB9A
SCHEMBL14182719 0.88 MAOA (0.52) KCNQ2MAPTALDH1A1KDM4ERAB9A
SCHEMBL14182720 0.88 NAMPT (0.44) KCNQ2MAPTSMN1; SMN2ITKKMT2A
SCHEMBL14182745 0.88 NAMPT (0.44) KCNQ2MAPTSMN1; SMN2ITKKMT2A

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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