SCHEMBL13868614

SCHEMBL13868614

CN1N=C(c2ccc3c(c2)OCO3)CC1c1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.60
▸ TERT O14746 7/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ NFKB1 P19838 2/20 0.58
▸ NFKB2 Q00653 2/20 0.58
▸ RELA Q04206 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ PKM P14618 1/20 0.58
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ POLB P06746 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HTT P42858 1/20 0.57

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
SCHEMBL8349934 1.00 ACHE (0.60) ACHETERTNPC1RAB9ASMN1; SMN2
SCHEMBL22890913 0.77 TERT (0.48) ACHETERTNPC1RAB9ASMN1; SMN2
SCHEMBL107978 0.73 MAPT (0.67) —
SCHEMBL23052151 0.72 ACHE (0.71) ACHETERTNPC1RAB9APKM
SCHEMBL23052323 0.72 ACHE (0.71) ACHETERTNPC1RAB9APKM
SCHEMBL1660270 0.72 ACHE (0.92) ACHETERTNPC1RAB9APKM
SCHEMBL6294055 0.68 MAOB (0.71) ACHENPC1RAB9ALMNAALDH1A1
SCHEMBL6294187 0.68 EGFR (0.65) ACHENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23052322 0.68 NPC1 (0.74) ACHETERTNPC1RAB9ASMN1; SMN2
SCHEMBL17454724 0.67 MAOB (0.82) LMNAALDH1A1KDM4E

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-7514583-B2 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis PROTEOTECH, INC. (US) 2009-04-07 — — US disclosed
US-7514583-B2 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis PROTEOTECH, INC. (US) 2009-04-07 — — US disclosed
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