SCHEMBL9380862

SCHEMBL9380862

ClC1c2ccccc2N=C2CCCCCN21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.47
BCHE P06276 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
NOS1 P29475 1/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KLK7 P49862 1/20 0.33

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
SCHEMBL9379522 0.94 ACHE (0.44) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL9381689 0.83 ACHE (0.48) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL9380285 0.82 ACHE (0.47) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL9380278 0.80 ACHE (0.40) ACHENOS1KLK7
SCHEMBL9379110 0.80 ACHE (0.39) ACHEALDH1A1NOS1MAPK1SMN1; SMN2
SCHEMBL9380948 0.80 ACHE (0.39) ACHELMNAMAPK1SMN1; SMN2KLK7
SCHEMBL9381591 0.80 ACHE (0.39) ACHEMAPK1SMN1; SMN2KLK7
SCHEMBL9380132 0.80 ACHE (0.39) ACHEBCHEALDH1A1NOS1SMN1; SMN2
SCHEMBL9385531 0.77 ACHE (0.39) ACHEMAPK1SMN1; SMN2KLK7
SCHEMBL9380160 0.77 ACHE (0.38) ACHEMAPK1SMN1; SMN2KLK7

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
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP claimed
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed