SCHEMBL14182789

SCHEMBL14182789

O=C(CNc1ccc(-c2cc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 4/20 0.51
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ PTPN1 P18031 2/20 0.48
▸ KDM4E B2RXH2 4/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SLC2A1 P11166 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ RXFP2 Q8WXD0 1/20 0.43
▸ NR2E3 Q9Y5X4 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL14182788 1.00 ITK (0.51) ITKMAOAMAOBPTPN1KDM4E
SCHEMBL14182791 0.90 ITK (0.48) ITKMAOAMAOBPTPN1KDM4E
SCHEMBL14182806 0.90 ITK (0.44) ITKMAOAMAOBPTPN1KDM4E
SCHEMBL14182997 0.89 PTPN1 (0.61) ITKMAOAMAOBPTPN1KDM4E
SCHEMBL14183001 0.89 PTPN1 (0.61) ITKMAOAMAOBPTPN1KDM4E
SCHEMBL14182786 0.85 ITK (0.47) ITKMAOAMAOBPTPN1KDM4E
SCHEMBL14182804 0.85 ALDH1A1 (0.43) ITKKDM4ETP53ALDH1A1HPGD
SCHEMBL14182803 0.85 ALDH1A1 (0.43) ITKKDM4ETP53ALDH1A1HPGD
SCHEMBL14182795 0.84 GRM4 (0.48) ITKKDM4ETP53ALDH1A1HPGD
SCHEMBL14182798 0.84 GRM4 (0.48) ITKKDM4ETP53ALDH1A1HPGD

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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