SCHEMBL8969565

SCHEMBL8969565

COc1cc(OC)c2nc3ccccn3c(=N)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
TLR9 Q9NR96 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
USP7 Q93009 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41

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
SCHEMBL8968284 0.79 PDE3B (0.43) HTR6TLR9NPC1RAB9AUSP7
SCHEMBL8969858 0.77 HTR6 (0.43) HTR6NPC1RAB9AUSP7TUBB4A
SCHEMBL8968935 0.77 HTR6 (0.45) HTR6NPC1RAB9AKMT2AMEN1
SCHEMBL25169465 0.72 MEN1 (0.47) NPC1RAB9AUSP7TUBB4ATUBB
SCHEMBL32682842 0.72 MEN1 (0.47) NPC1RAB9AUSP7TUBB4ATUBB
SCHEMBL25169483 0.72 TUBB4A (0.43) TLR9NPC1RAB9AUSP7TUBB4A
SCHEMBL8970027 0.72 ALDH1A1 (0.40) HTR6NPC1RAB9AKMT2AMEN1
SCHEMBL8969599 0.70 KDM4E (0.44) HTR6NPC1RAB9AKMT2AMEN1
SCHEMBL8969078 0.69 HTR6 (0.42) HTR6NPC1RAB9AKMT2AMEN1
SCHEMBL8968885 0.69 PARP1 (0.42) HTR6NPC1RAB9AKMT2AMEN1

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