SCHEMBL6029083

SCHEMBL6029083

COc1ccc(OC)c(Cc2ccc3c(c2)C(c2cccc(C(N)=O)c2)=NCC(=O)N3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48
TUBB4B P68371 3/20 0.48
TUBB3 Q13509 3/20 0.48
TUBB2A Q13885 3/20 0.48
TUBB8 Q3ZCM7 3/20 0.48
TUBA3E Q6PEY2 3/20 0.48
TUBA1A Q71U36 3/20 0.48
TUBA1C Q9BQE3 3/20 0.48
TUBB6 Q9BUF5 3/20 0.48
TUBB2B Q9BVA1 3/20 0.48
TUBB1 Q9H4B7 3/20 0.48
PDE2A O00408 1/20 0.46
P2RX3 P56373 1/20 0.44
KMT2A Q03164 1/20 0.43
PARP1 P09874 4/20 0.40
PDE4D Q08499 2/20 0.39

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
SCHEMBL6028217 0.91 PDE2A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4708595 0.81 PDE2A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5034754 0.77 PDE2A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4707743 0.77 PDE2A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5044563 0.76 PDE2A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6028359 0.74 PDE2A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4709615 0.72 PDE4D (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19481193 0.72 KMT2A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6028000 0.72 PDE2A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6627733 0.71 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
EP-1697332-A1 BENZO'1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF NEURO3D (FR) 2006-09-06 EP disclosed
WO-2005063723-A1 BENZO`1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF NEURO3D (FR) 2005-07-14 WO disclosed