SCHEMBL8968284

SCHEMBL8968284

COc1cc(OC)c2c(=N)n3ccccc3nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
HTR6 P50406 2/20 0.43
TLR9 Q9NR96 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 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

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
SCHEMBL8969565 0.79 HTR6 (0.43) HTR6TLR9NPC1RAB9AUSP7
SCHEMBL8968935 0.77 HTR6 (0.45) HTR6NPC1RAB9AMEN1KMT2A
SCHEMBL8969408 0.72 ALDH1A1 (0.41) HTR6NPC1RAB9AMEN1KMT2A
SCHEMBL8969177 0.71 KDM4E (0.50) HTR6NPC1RAB9AMEN1KMT2A
SCHEMBL8968968 0.71 KDM4E (0.53) HTR6NPC1RAB9AMEN1KMT2A
SCHEMBL8968970 0.70 KDM4E (0.48) HTR6NPC1RAB9AMEN1KMT2A
SCHEMBL8969667 0.70 KDM4E (0.41) HTR6NPC1RAB9AUSP7MEN1
SCHEMBL8969236 0.70 KDM4E (0.41) HTR6NPC1RAB9AMEN1KMT2A
SCHEMBL8968887 0.70 ALDH1A1 (0.41) HTR6NPC1RAB9AMEN1KMT2A
SCHEMBL8969928 0.69 ALDH1A1 (0.40) HTR6NPC1RAB9AMEN1KMT2A

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