SCHEMBL8968700

SCHEMBL8968700

Brc1cccc2c1CN1CCCCCC1=N2

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.70
BCHE P06276 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HPGD P15428 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
SCHEMBL8968767 0.98 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968436 0.82 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968466 0.82 ACHE (1.00) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8970192 0.82 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968183 0.81 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL31197078 0.81 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969241 0.81 ACHE (0.97) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968520 0.81 ACHE (0.68) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969005 0.79 ACHE (0.51) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969629 0.79 ACHE (0.65) 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