SCHEMBL8968606

SCHEMBL8968606

N=c1c2cccc(Cl)c2nc2n1C1CC3CC(CC2C3)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
NR4A2 P43354 3/20 0.35
PARP1 P09874 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CYP11B2 P19099 1/20 0.31
PDE7A Q13946 1/20 0.30
KCNH2 Q12809 2/20 0.30
HRH3 Q9Y5N1 2/20 0.30
PARP14 Q460N5 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
ABL1 P00519 1/20 0.30
CSF1R P07333 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
SCHEMBL8968721 0.85 KDM4E (0.38) PARP1MAPTRAB9APDE7APARP14
SCHEMBL8969949 0.84 HRH4 (0.32)
SCHEMBL8969462 0.81 PIK3CD (0.31)
SCHEMBL8969708 0.81 ALDH1A1 (0.38) PARP1KCNH2HRH3ADRA1A
SCHEMBL8970053 0.79 ACHE (0.38) ACHEPARP1NPC1
SCHEMBL8970019 0.76 CCNT1 (0.34) ACHECDK9
SCHEMBL8969811 0.75
SCHEMBL8969797 0.74 LRRK2 (0.39) ACHENPC1RAB9ALRRK2
SCHEMBL8969460 0.74 ACHE (0.42) ACHENR4A2LRRK2
SCHEMBL8968897 0.71 BCHE (0.31) ACHE

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