SCHEMBL14182793

SCHEMBL14182793

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 4/20 0.44
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ RXFP2 Q8WXD0 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR2E3 Q9Y5X4 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35

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
SCHEMBL14182786 0.93 ITK (0.47) ITKMAOAMAOBKDM4EALDH1A1
SCHEMBL14182809 0.89 CNR1 (0.36) ITKMAOAMAOBKDM4EALDH1A1
SCHEMBL14182805 0.88 ALDH1A1 (0.42) KDM4EALDH1A1HPGDTP53NPC1
SCHEMBL14213889 0.83 ITK (0.40) ITKMAOAMAOBKDM4EALDH1A1
SCHEMBL14182800 0.82 RAB9A (0.38) KDM4EALDH1A1HPGDTP53NPC1
SCHEMBL14183014 0.81 ITK (0.48) ITKMAOAMAOBKDM4EALDH1A1
SCHEMBL14183008 0.81 ITK (0.48) ITKMAOAMAOBKDM4EALDH1A1
SCHEMBL14182999 0.81 ITK (0.48) ITKMAOAMAOBKDM4EALDH1A1
SCHEMBL14182801 0.81 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTP53NPC1
SCHEMBL14182789 0.81 ITK (0.51) ITKMAOAMAOBKDM4EALDH1A1

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 1 patent. 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
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