SCHEMBL8441127

SCHEMBL8441127

NCC(N)c1ccc(N=Nc2ccc(OCCO)cc2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ PPARA Q07869 5/20 0.35
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34
▸ LMNA P02545 1/20 0.33

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
SCHEMBL8441513 0.83 MAOB (0.43) MEN1KMT2AALDH1A1RECQLTDP1
SCHEMBL8440239 0.83 CYP2D6 (0.43) MEN1KMT2ATDP1MAPTKDM4E
SCHEMBL13478430 0.83 ALDH1A1 (0.53) MEN1KMT2AALDH1A1RECQLTDP1
SCHEMBL8441206 0.82 MEN1 (0.54) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL8439695 0.80 MEN1 (0.47) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL8441133 0.77 IDO1 (0.45) MEN1KMT2AALDH1A1RECQLTDP1
SCHEMBL8439498 0.76 MEN1 (0.52) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL8437407 0.74 MEN1 (0.39) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL8441865 0.74 MEN1 (0.40) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL9224161 0.73 ALDH1A1 (0.67) MEN1KMT2AALDH1A1RECQLNPC1

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-5955472-A INHIBITION OF AMYLOID AGGREGATION IN ANIMALS AND PREVENTION OF ALZHEIMER'S DISEASE WARNER-LAMBERT COMPANY (US) 1999-09-21 — — US claimed
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