SCHEMBL8968353

SCHEMBL8968353

N=c1c2cccc(Cl)c2nc2n1CCCCC2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
POLB P06746 1/20 0.51
TP53 P04637 4/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
MAPK10 P53779 1/20 0.39
HPGD P15428 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
SCHEMBL8969172 0.99 ACHE (0.54) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8968510 0.83 ACHE (0.60) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8968464 0.83 ACHE (0.50) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8968439 0.83 KMT2A (0.62) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8969481 0.83 ACHE (0.50) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8970389 0.83 ACHE (0.50) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8968919 0.82 ACHE (0.48) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8969210 0.82 ACHE (0.58) ACHEPOLBTP53MEN1KMT2A
SCHEMBL8968416 0.82 ACHE (0.48) ACHEMEN1KMT2AHDAC6LMNA
SCHEMBL8968656 0.81 ACHE (0.60) ACHEPOLBTP53LMNAMAPT

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