SCHEMBL8969210

SCHEMBL8969210

N=c1c2ccc(Cl)c(Cl)c2nc2n1CCCC2

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.58
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 3/20 0.39
MAPT P10636 5/20 0.38
THRB P10828 2/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
LMNA P02545 5/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL8968510 0.99 ACHE (0.60) ACHEPOLBMEN1KMT2AHPGD
SCHEMBL8969172 0.83 ACHE (0.54) ACHEPOLBMEN1KMT2ATP53
SCHEMBL8968353 0.82 ACHE (0.56) ACHEPOLBMEN1KMT2AHPGD
SCHEMBL8968512 0.79 ACHE (0.50) ACHEPOLBMEN1KMT2AHPGD
SCHEMBL8969192 0.78 ACHE (0.52) ACHEPOLBMEN1KMT2AHPGD
SCHEMBL8970644 0.77 ACHE (0.54) ACHEPOLBMEN1KMT2AHPGD
SCHEMBL8968236 0.77 ACHE (0.51) ACHEMEN1KMT2AHPGDTP53
SCHEMBL8969044 0.77 ACHE (0.58) ACHEPOLBMEN1KMT2AHPGD
SCHEMBL8968609 0.77 ACHE (0.54) ACHEPOLBMEN1KMT2AHPGD
SCHEMBL8968614 0.76 ACHE (0.56) ACHEPOLBMEN1KMT2AHPGD

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed