SCHEMBL8969251

SCHEMBL8969251

Cc1cc(Cl)c2c(c1)N=C1CCCN1C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.55
BCHE P06276 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 1/20 0.34
KLK7 P49862 1/20 0.33
TP53 P04637 2/20 0.30
MAPT P10636 1/20 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
SCHEMBL8969794 0.96 ACHE (0.60) ACHEBCHELMNAMEN1USP2
SCHEMBL8969382 0.94 ACHE (0.63) ACHEBCHELMNAMEN1USP2
SCHEMBL8969081 0.85 ACHE (0.55) ACHEBCHELMNAMEN1USP2
SCHEMBL8968233 0.85 ACHE (0.57) ACHEBCHELMNAMEN1USP2
Hydrochloric Acid SCHEMBL8969536 0.84 ACHE (0.56) ACHEBCHELMNAMEN1USP2
SCHEMBL8968740 0.82 ACHE (0.55) ACHEBCHELMNAMEN1USP2
SCHEMBL8968511 0.82 ACHE (0.55) ACHEBCHELMNAMEN1USP2
SCHEMBL8970122 0.81 ACHE (0.60) ACHEBCHELMNAMEN1USP2
SCHEMBL8969421 0.81 ACHE (0.63) ACHEBCHELMNAMEN1USP2
SCHEMBL8970226 0.81 ACHE (0.49) ACHEBCHELMNAMEN1USP2

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