SCHEMBL11678680

SCHEMBL11678680

CCCC(OC(=O)Nc1ccccc1)N(CC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ NOX1 Q9Y5S8 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ UTS2R Q9UKP6 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 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
SCHEMBL11676164 0.89 MEN1 (0.50) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL10409304 0.83 KMT2A (0.50) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL11834659 0.83 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL11679217 0.81 LMNA (0.44) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL11825771 0.81 TP53 (0.42) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11676725 0.78 KMT2A (0.44) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL11671530 0.78 TDP1 (0.40) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11680345 0.76 ALDH1A1 (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11763185 0.76 LMNA (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL22459216 0.76 CTSK (0.48) MEN1KMT2ARAB9ANPC1MAPT

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
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
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