SCHEMBL8968464

SCHEMBL8968464

Cc1cccc2c(=N)n3c(nc12)CCCCC3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
MAPK10 P53779 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
SCHEMBL8968416 0.99 ACHE (0.48) ACHEKDM4EGAAL3MBTL1TDP1
SCHEMBL8968609 0.84 ACHE (0.54) ACHELMNAMAPTMEN1KMT2A
SCHEMBL8970389 0.83 ACHE (0.50) ACHELMNAMAPTMEN1KMT2A
SCHEMBL8968353 0.83 ACHE (0.56) ACHELMNAMAPTMEN1KMT2A
SCHEMBL8969481 0.83 ACHE (0.50) ACHEKDM4EL3MBTL1TDP1LMNA
SCHEMBL8968404 0.83 ACHE (0.47) ACHEL3MBTL1LMNAMAPTMEN1
SCHEMBL8969172 0.82 ACHE (0.54) ACHEKDM4EL3MBTL1TDP1LMNA
SCHEMBL8968919 0.82 ACHE (0.48) ACHEKDM4EL3MBTL1TDP1LMNA
SCHEMBL8969618 0.81 LMNA (0.51) ACHELMNAMAPTSMN1; SMN2NPC1
SCHEMBL8968642 0.81 ACHE (0.50) ACHEKDM4ELMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed