SCHEMBL9749208

SCHEMBL9749208

O=C(Nc1c2c(nc3ccccc13)CCCC2)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
GAA P10253 1/20 0.64
KMT2A Q03164 2/20 0.63
MAPT P10636 2/20 0.62
ACHE P22303 4/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
BCHE P06276 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
RIPK1 Q13546 1/20 0.52
KDM4E B2RXH2 2/20 0.52

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
SCHEMBL8476129 0.89 HTT (0.73) HTTGAAKMT2AMAPTACHE
SCHEMBL10061487 0.87 HTT (0.67) HTTGAAKMT2AMAPTACHE
SCHEMBL27961246 0.83 ACHE (0.70) ACHEBCHE
SCHEMBL27961244 0.81 ACHE (0.68) ACHEBCHE
SCHEMBL9208663 0.80 HTT (0.74) HTTGAAMAPTACHEBCHE
SCHEMBL8473136 0.79 HTT (0.69) HTTGAAMAPTACHEHDAC6
SCHEMBL8472225 0.78 HTT (0.71) HTTGAAMAPTACHEBCHE
SCHEMBL3798774 0.78 HTT (0.55) HTTGAAMAPTACHEBCHE
SCHEMBL9747579 0.76 BCHE (0.83) HTTGAAKMT2AMAPTACHE
SCHEMBL8474173 0.76 BCHE (0.66) HTTGAAMAPTACHEBCHE

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-5175172-A Administering amino-1,2,3,4-tetrahydroacridine and derivatives for elevation of T4 lymphocytes level in patients DIETLIN FRANCOIS (FR) 1992-12-29 US disclosed