SCHEMBL11676164

SCHEMBL11676164

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ NOX1 Q9Y5S8 1/20 0.47
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ KLK7 P49862 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL11678680 0.89 MEN1 (0.48) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL10409304 0.86 KMT2A (0.50) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL11826484 0.82 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1
SCHEMBL11828834 0.81 ALDH1A1 (0.42) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11676368 0.79 TSHR (0.45) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11825761 0.78 TP53 (0.43) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL11680348 0.78 MEN1 (0.51) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL11676725 0.78 KMT2A (0.44) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL11676680 0.78 MAPT (0.50) MEN1KMT2AMAPTL3MBTL1KLK7
SCHEMBL11680345 0.76 ALDH1A1 (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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