SCHEMBL8969192

SCHEMBL8969192

N=c1c2c(Cl)ccc(Cl)c2nc2n1CCCCC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
POLB P06746 1/20 0.50
LMNA P02545 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 3/20 0.43
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ALPG P10696 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8968512 0.98 ACHE (0.50) ACHEPOLBLMNANPC1RAB9A
SCHEMBL8968353 0.80 ACHE (0.56) ACHEPOLBLMNANPC1RAB9A
SCHEMBL8968510 0.80 ACHE (0.60) ACHEPOLBLMNANPC1RAB9A
SCHEMBL8968614 0.80 ACHE (0.56) ACHEPOLBLMNANPC1RAB9A
SCHEMBL8968447 0.80 POLB (0.58) ACHEPOLBLMNANPC1RAB9A
SCHEMBL8969167 0.79 NPC1 (0.49) ACHEPOLBLMNANPC1RAB9A
SCHEMBL8968557 0.78 POLB (0.56) ACHEPOLBLMNANPC1RAB9A
SCHEMBL8969210 0.78 ACHE (0.58) ACHEPOLBLMNANPC1RAB9A
SCHEMBL8969172 0.78 ACHE (0.54) ACHEPOLBLMNANPC1RAB9A
SCHEMBL8970644 0.78 ACHE (0.54) ACHEPOLBLMNANPC1RAB9A

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