SCHEMBL8968835

SCHEMBL8968835

Brc1cc(I)cc2c1CN1CCCCC1=N2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.47
BCHE P06276 1/20 0.40
USP2 O75604 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.34
INMT O95050 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
SCHEMBL8968359 0.99 ACHE (0.49) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968662 0.96 ACHE (0.44) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969238 0.85 ACHE (0.49) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969005 0.84 ACHE (0.51) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969309 0.84 ACHE (0.51) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968486 0.83 ACHE (0.60) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969416 0.83 ACHE (0.57) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969205 0.83 ACHE (0.47) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968397 0.83 ACHE (0.47) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969380 0.82 ACHE (0.49) ACHEBCHEUSP2MEN1ALDH1A1

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