SCHEMBL8969901

SCHEMBL8969901

C=C1c2c(Cl)cc(Cl)cc2N=C2CCCCCN12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.69
KLK7 P49862 1/20 0.35
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BCHE P06276 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
HTT P42858 2/20 0.30

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
SCHEMBL8969833 0.79 ACHE (1.00) ACHEKDM4ENPC1ALDH1A1RAB9A
SCHEMBL29869033 0.70 ACHE (0.66) ACHEKLK7L3MBTL1MEN1KMT2A
SCHEMBL4448665 0.70 ACHE (0.66) ACHEKLK7L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL8968390 0.69 ACHE (0.64) ACHEKLK7L3MBTL1MEN1KMT2A
SCHEMBL8969421 0.68 ACHE (0.63) ACHEKLK7L3MBTL1MEN1KMT2A
SCHEMBL8970444 0.67 ACHE (0.70) ACHEKDM4EMEN1KMT2AHPGD
SCHEMBL8969429 0.67 KLK7 (0.56) ACHEKLK7NPC1ALDH1A1RAB9A
SCHEMBL8969229 0.67 ACHE (0.42) ACHEKLK7L3MBTL1HPGDNPC1
SCHEMBL8968233 0.63 ACHE (0.57) ACHEKLK7L3MBTL1MEN1KMT2A
SCHEMBL8969695 0.62 ACHE (0.59) ACHEMEN1KMT2AALDH1A1BCHE

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 3 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
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed