SCHEMBL3478352

SCHEMBL3478352

COc1cc2cc(Br)ccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
LMNA P02545 2/20 0.47
BACE1 P56817 1/20 0.42
CLK1 P49759 4/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38

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
SCHEMBL3478461 0.84 RAB9A (0.40) HSP90AA1RAB9AMEN1KMT2ATUBB4A
SCHEMBL5229048 0.78 LMNA (0.50) HSP90AA1LMNACLK1RAB9AMEN1
SCHEMBL826722 0.78 CYP2A6 (0.52) BACE1CLK1RAB9AMEN1KMT2A
SCHEMBL4580171 0.78 BACE1 (0.67) BACE1CLK1CA2CYP2A6DYRK1A
SCHEMBL1744396 0.75 HSP90AA1 (0.52) HSP90AA1LMNACLK1RAB9AMEN1
SCHEMBL14761179 0.74 HSP90AA1 (0.44) HSP90AA1LMNABACE1CLK1RAB9A
SCHEMBL5163126 0.74 LMNA (0.50) HSP90AA1LMNACLK1RAB9AMEN1
SCHEMBL3125932 0.74 HSP90AA1 (0.55) HSP90AA1LMNABACE1RAB9AMEN1
SCHEMBL21326404 0.72 HSP90AA1 (0.53) HSP90AA1LMNABACE1RAB9AMEN1
SCHEMBL147625 0.72 TUBB4A (0.46) 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-2167083-A2 NOVEL 1- HETEROARYL-3-AZABICYCLOÝ3.1.0¨HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS DOV Pharmaceutical, Inc. (US) 2010-03-31 EP disclosed
WO-2008153937-A2 NOVEL 1- HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS DOV PHARMACEUTICAL, INC. (US) 2008-12-18 WO disclosed