SCHEMBL8969281

SCHEMBL8969281

Cc1cc2c(c(C)c1Cl)N=C1CCCCN1C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.52
BCHE P06276 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.33
KLK7 P49862 1/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8969768 0.99 ACHE (0.54) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969542 0.88 ACHE (0.54) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969868 0.83 ACHE (0.59) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969418 0.79 ACHE (0.60) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968645 0.79 ACHE (0.64) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8970068 0.78 ACHE (0.49) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968742 0.78 ACHE (0.56) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969373 0.78 ACHE (0.63) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969785 0.78 ACHE (0.63) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968972 0.78 ACHE (0.67) ACHEBCHEALDH1A1MEN1USP2

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