SCHEMBL14182997

SCHEMBL14182997

O=C(Nc1ccc(-c2cc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.61
▸ ITK Q08881 3/20 0.58
▸ MAOA P21397 1/20 0.56
▸ MAOB P27338 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HPGD P15428 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ PTPN2 P17706 1/20 0.50
▸ NR2E3 Q9Y5X4 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SLC2A1 P11166 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RXFP2 Q8WXD0 1/20 0.49

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
SCHEMBL14183001 1.00 PTPN1 (0.61) PTPN1ITKMAOAMAOBSMN1; SMN2
SCHEMBL14182996 0.90 ITK (0.52) PTPN1ITKMAOAMAOBSMN1; SMN2
SCHEMBL14183009 0.90 ITK (0.52) PTPN1ITKMAOAMAOBSMN1; SMN2
SCHEMBL14182679 0.90 MAOA (0.70) PTPN1ITKMAOAMAOBSMN1; SMN2
SCHEMBL14182692 0.90 MAOA (0.70) PTPN1ITKMAOAMAOBSMN1; SMN2
SCHEMBL14182633 0.90 MAOA (0.70) PTPN1ITKMAOAMAOBSMN1; SMN2
SCHEMBL14182629 0.90 MAOA (0.70) PTPN1ITKMAOAMAOBSMN1; SMN2
SCHEMBL14182789 0.89 ITK (0.51) PTPN1ITKMAOAMAOBSMN1; SMN2
SCHEMBL14182788 0.89 ITK (0.51) PTPN1ITKMAOAMAOBSMN1; SMN2
SCHEMBL14182999 0.88 ITK (0.48) PTPN1ITKMAOAMAOBSMN1; SMN2

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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