SCHEMBL14182999

SCHEMBL14182999

O=C(Nc1ccc2cc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 3/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.43
▸ GRM2 Q14416 1/20 0.42
▸ NR2E3 Q9Y5X4 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL14183014 1.00 ITK (0.48) ITKPTPN1MAOAMAOBALDH1A1
SCHEMBL14183008 1.00 ITK (0.48) ITKPTPN1MAOAMAOBALDH1A1
SCHEMBL14182669 0.92 MAOA (0.55) ITKPTPN1MAOAMAOBALDH1A1
SCHEMBL14182657 0.92 MAOA (0.55) ITKPTPN1MAOAMAOBALDH1A1
SCHEMBL14182651 0.92 MAOA (0.55) ITKPTPN1MAOAMAOBALDH1A1
SCHEMBL14182632 0.92 MAOA (0.55) ITKPTPN1MAOAMAOBALDH1A1
SCHEMBL14183003 0.90 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDTP53GRM2
SCHEMBL14182997 0.88 PTPN1 (0.61) ITKPTPN1MAOAMAOBALDH1A1
SCHEMBL14183001 0.88 PTPN1 (0.61) ITKPTPN1MAOAMAOBALDH1A1
SCHEMBL14182803 0.87 ALDH1A1 (0.43) ITKALDH1A1KDM4EHPGDTP53

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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