SCHEMBL8968398

SCHEMBL8968398

Ic1cc(I)c2c(c1)N=C1CCCN1C2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.46
BCHE P06276 1/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL8969238 0.95 ACHE (0.49) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969309 0.94 ACHE (0.51) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968513 0.85 ACHE (0.44) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968511 0.85 ACHE (0.55) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968662 0.85 ACHE (0.44) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968621 0.85 ACHE (0.44) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968383 0.85 ACHE (0.44) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969945 0.85 ACHE (0.51) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968408 0.81 ACHE (0.47) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968486 0.81 ACHE (0.60) ACHEBCHEMEN1USP2ALDH1A1

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