SCHEMBL14182715

SCHEMBL14182715

CC1CCC(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)c5cccnc5)cc4)cc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.50
▸ NPC1 O15118 7/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ ITK Q08881 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CLK3 P49761 1/20 0.42
▸ DYRK1A Q13627 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
SCHEMBL14182734 1.00 RAB9A (0.50) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL14182730 0.91 TP53 (0.55) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL14182696 0.91 TP53 (0.55) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL14182749 0.91 TP53 (0.55) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL14182631 0.91 TP53 (0.55) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL14182906 0.90 GSK3A (0.52) SMN1; SMN2GSK3AGSK3BCLK2CLK3
SCHEMBL14182712 0.89 ALDH1A1 (0.47) GAAMAPTALDH1A1KMT2ATP53
SCHEMBL14182716 0.89 MAOA (0.54) RAB9ANPC1GAAMAPTMEN1
SCHEMBL14182737 0.89 MAOA (0.54) RAB9ANPC1GAAMAPTMEN1
SCHEMBL14182731 0.87 RAB9A (0.60) RAB9ANPC1SMN1; SMN2GAAMAPT

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
Send feedback