SCHEMBL18570641

SCHEMBL18570641

Cc1cc(NCCCN2CCN(CCCNc3ccc(N)c(C)c3)CC2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.44
▸ RAD52 P43351 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SRC P12931 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39

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
SCHEMBL5929366 0.96 SRC (0.45) HTR7RAD52GAAALDH1A1SRC
SCHEMBL5929424 0.94 HRH3 (0.46) HTR7RAD52ALDH1A1POLBMAPK1
Hydrochloric Acid SCHEMBL5929367 0.93 HRH3 (0.45) HTR7RAD52ALDH1A1POLBMAPK1
SCHEMBL18570638 0.91 GAA (0.45) HTR7RAD52GAAALDH1A1HTT
SCHEMBL14419464 0.90 POLB (0.54) RAD52ALDH1A1POLBMAPK1ATM
SCHEMBL6840686 0.89 HRH3 (0.46) ALDH1A1HRH3BACE1
SCHEMBL15986268 0.86 CHRM2 (0.38) HTR7RAD52GAAALDH1A1POLB
SCHEMBL5929421 0.85 ADRA2A (0.43) RAD52GAAALDH1A1CYP3A4THRB
SCHEMBL15986208 0.84 ALDH1A1 (0.35) HTR7RAD52GAAALDH1A1POLB
SCHEMBL6142477 0.84 ACHE (0.45) RAD52GAAALDH1A1CYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734179-B1 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO KGAA (DE) 2017-03-01 — — EP disclosed
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