SCHEMBL8969040

SCHEMBL8969040

COc1cc(OC)c2nc3n(c(=N)c2c1)CCCCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
LMNA P02545 6/20 0.44
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
TP53 P04637 3/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
RAD52 P43351 1/20 0.41
CYP1A2 P05177 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
GAA P10253 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
JAK2 O60674 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 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
SCHEMBL8968476 0.78 ACHE (0.59) ACHEMAPTTP53SMN1; SMN2KMT2A
SCHEMBL8969913 0.78 ACHE (0.49) ACHELMNAMAPTTHRBTP53
SCHEMBL8968642 0.74 ACHE (0.50) ACHELMNAMAPTTHRBPOLB
SCHEMBL8969634 0.71 ACHE (0.53) ACHELMNAMAPTTHRBTP53
SCHEMBL8968656 0.71 ACHE (0.60) ACHELMNAMAPTTHRBTP53
SCHEMBL8969044 0.69 ACHE (0.58) ACHELMNAMAPTTHRBTP53
SCHEMBL8968609 0.69 ACHE (0.54) ACHELMNAMAPTTHRBTP53
SCHEMBL8968655 0.69 ACHE (0.51) ACHELMNAMAPTTHRBTP53
SCHEMBL8968464 0.69 ACHE (0.50) ACHELMNAMAPTTHRBTP53
SCHEMBL8969076 0.68 ACHE (0.63) ACHELMNATP53POLBSMN1; 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