SCHEMBL8969044

SCHEMBL8969044

N=c1c2cc(Cl)cc(Cl)c2nc2n1CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.58
BCHE P06276 3/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.38
THRB P10828 2/20 0.38
SMN1; SMN2 Q16637 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
TP53 P04637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8968656 0.99 ACHE (0.60) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL8969172 0.80 ACHE (0.54) ACHEBCHEMAPTLMNATHRB
SCHEMBL8968353 0.79 ACHE (0.56) ACHEMAPTLMNATHRBSMN1; SMN2
SCHEMBL8969210 0.77 ACHE (0.58) ACHEMAPTLMNATHRBSMN1; SMN2
SCHEMBL8969679 0.77 ACHE (0.78) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL8969554 0.77 ACHE (0.61) ACHELMNASMN1; SMN2NPC1RAB9A
SCHEMBL8969447 0.77 ACHE (0.68) ACHELMNASMN1; SMN2NPC1RAB9A
SCHEMBL8968881 0.76 ACHE (0.80) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL8968510 0.76 ACHE (0.60) ACHEMAPTLMNATHRBSMN1; SMN2
SCHEMBL8968470 0.76 ACHE (0.64) ACHEMAPTLMNASMN1; SMN2TP53

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