SCHEMBL8969569

SCHEMBL8969569

CSc1cccc2c1N=C1CCCCCN1C2

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.65
BCHE P06276 1/20 0.48
KMT2A Q03164 2/20 0.47
USP2 O75604 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
HRH3 Q9Y5N1 1/20 0.35
HTT P42858 1/20 0.34
INMT O95050 1/20 0.32

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
SCHEMBL8969699 0.99 ACHE (0.63) ACHEBCHEKMT2AUSP2MEN1
SCHEMBL8969359 0.82 ACHE (0.70) ACHEBCHEKMT2AUSP2MEN1
SCHEMBL8968530 0.80 ACHE (0.68) ACHEBCHEKMT2AUSP2MEN1
SCHEMBL8969094 0.79 ACHE (1.00) ACHEBCHEKMT2AUSP2MEN1
SCHEMBL8968954 0.79 ACHE (0.70) ACHEBCHEKMT2AUSP2MEN1
SCHEMBL8968420 0.79 ACHE (0.70) ACHEBCHEKMT2AUSP2MEN1
SCHEMBL8969629 0.78 ACHE (0.65) ACHEBCHEKMT2AUSP2MEN1
SCHEMBL8968909 0.77 ACHE (0.97) ACHEBCHEKMT2AUSP2MEN1
SCHEMBL8968461 0.77 ACHE (0.68) ACHEBCHEKMT2AUSP2MEN1
SCHEMBL8968761 0.77 ACHE (0.68) ACHEBCHEKMT2AUSP2MEN1

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