SCHEMBL5307614

SCHEMBL5307614

O=C(Nc1cnc2[nH]c(-c3ccc(NC4CCCCC4)cc3)nc2c1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.51
▸ TP53 P04637 1/20 0.51
▸ PTPN1 P18031 3/20 0.50
▸ PTPN2 P17706 1/20 0.50
▸ NR2E3 Q9Y5X4 3/20 0.48
▸ TRPV1 Q8NER1 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FOXO1 Q12778 1/20 0.45
▸ WNT1 P04628 2/20 0.44
▸ S1PR1 P21453 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CLK2 P49760 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
SCHEMBL5621308 1.00 KDM4E (0.51) KDM4ETP53PTPN1PTPN2NR2E3
SCHEMBL14303335 0.93 PTPN1 (0.58) KDM4ETP53PTPN1PTPN2NR2E3
SCHEMBL14439794 0.93 PTPN1 (0.58) KDM4ETP53PTPN1PTPN2NR2E3
SCHEMBL5621310 0.87 KDM4E (0.47) KDM4ETP53TRPV1ALDH1A1MAPT
SCHEMBL5307617 0.87 KDM4E (0.47) KDM4ETP53TRPV1ALDH1A1MAPT
SCHEMBL6887046 0.79 PTPN1 (0.54) KDM4ETP53PTPN1PTPN2NR2E3
SCHEMBL6887198 0.79 PTPN1 (0.54) KDM4ETP53PTPN1PTPN2NR2E3
SCHEMBL6028361 0.79 PTPN1 (0.54) KDM4ETP53PTPN1PTPN2NR2E3
SCHEMBL14439813 0.77 NR2E3 (0.64) KDM4ETP53PTPN1PTPN2NR2E3
SCHEMBL14305024 0.77 NR2E3 (0.64) KDM4ETP53PTPN1PTPN2NR2E3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 — — US disclosed
EP-1546157-A4 PHENYL-AZA-BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2007-02-28 — — EP disclosed
CN-1694889-A Phenyl-aza-benzimidazole compounds for modulating ige and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2005-11-09 — — CN disclosed
EP-1546157-A2 PHENYL-AZA-BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION Avanir Pharmaceuticals (US) 2005-06-29 — — EP disclosed
US-20040116466-A1 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2004-06-17 — — US disclosed
WO-2004024897-A2 PHENYL-AZA-BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2004-03-25 — — WO disclosed
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