SCHEMBL8969913

SCHEMBL8969913

COc1ccc2c(=N)n3c(nc2c1OC)CCCCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
LMNA P02545 6/20 0.44
TP53 P04637 8/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 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
SCHEMBL8968609 0.78 ACHE (0.54) ACHELMNATP53MAPTSMN1; SMN2
SCHEMBL8969040 0.78 ACHE (0.46) ACHELMNATP53MAPTGAA
SCHEMBL8968476 0.75 ACHE (0.59) ACHETP53MAPTGAASMN1; SMN2
SCHEMBL8968510 0.74 ACHE (0.60) ACHELMNATP53MAPTSMN1; SMN2
SCHEMBL8969799 0.74 ACHE (0.53) ACHELMNATP53MAPTGAA
SCHEMBL8968464 0.74 ACHE (0.50) ACHELMNATP53MAPTGAA
SCHEMBL8968416 0.72 ACHE (0.48) ACHELMNAMAPTGAASMN1; SMN2
SCHEMBL8969210 0.72 ACHE (0.58) ACHELMNATP53MAPTSMN1; SMN2
SCHEMBL8968236 0.72 ACHE (0.51) ACHELMNATP53MAPTGAA
SCHEMBL8970389 0.71 ACHE (0.50) ACHELMNATP53MAPTSMN1; 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