SCHEMBL5621310

SCHEMBL5621310

c1cc(-c2nc3cc(NC4CCCCCC4)cnc3[nH]2)ccc1NC1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ IP6K1 Q92551 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ CDC7 O00311 5/20 0.38
▸ DBF4 Q9UBU7 3/20 0.38
▸ WEE1 P30291 1/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ GABRA1 P14867 1/20 0.37

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
SCHEMBL5307617 1.00 KDM4E (0.47) KDM4EMAPK1MEN1APAF1ALDH1A1
SCHEMBL5621308 0.87 KDM4E (0.51) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL5307614 0.87 KDM4E (0.51) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL14439794 0.77 PTPN1 (0.58) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL14303335 0.77 PTPN1 (0.58) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL6887204 0.74 SCN2A (0.47) KDM4EMAPK1MEN1APAF1ALDH1A1
SCHEMBL6887052 0.74 SCN2A (0.47) KDM4EMAPK1MEN1APAF1ALDH1A1
SCHEMBL2977660 0.70 FAAH (0.57) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL5621234 0.70 KDM4E (0.39) KDM4EALDH1A1TP53DYRK3CLK2
SCHEMBL30800857 0.70 MAPT (0.55) KDM4EMAPK1MEN1APAF1ALDH1A1

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-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 — — US disclosed
US-20040116466-A1 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2004-06-17 — — US disclosed
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