SCHEMBL8970461

SCHEMBL8970461

Brc1cc(Br)c2c(c1)N=C1CCCN1C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.46
BCHE P06276 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 1/20 0.36
PRNP P04156 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
PPARG P37231 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL8969005 0.94 ACHE (0.51) ACHEBCHELMNAMEN1USP2
SCHEMBL8970459 0.85 ACHE (0.51) ACHEBCHELMNAMEN1USP2
SCHEMBL8968383 0.85 ACHE (0.44) ACHEBCHELMNAMEN1USP2
SCHEMBL8968946 0.85 ACHE (0.44) ACHEBCHELMNAMEN1USP2
SCHEMBL8968662 0.85 ACHE (0.44) ACHEBCHELMNAMEN1USP2
SCHEMBL8968591 0.85 ACHE (0.44) ACHEBCHELMNAMEN1USP2
SCHEMBL8969081 0.85 ACHE (0.55) ACHEBCHELMNAMEN1USP2
SCHEMBL8968408 0.81 ACHE (0.47) ACHEBCHELMNAMEN1USP2
SCHEMBL8970122 0.81 ACHE (0.60) ACHEBCHELMNAMEN1USP2
SCHEMBL8968835 0.81 ACHE (0.47) 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