SCHEMBL3655501

SCHEMBL3655501

COc1cc(C(C=O)=NO)cc(OC)c1OC

nearest known ligand 0.52

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
▸ NQO2 P16083 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45

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
SCHEMBL502651 0.83 TUBB1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4448757 0.81 MAPT (0.57) NQO2ABCG2PDE4APDE4BPDE4C
SCHEMBL374153 0.76 ABCG2 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28187635 0.75 MAPT (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Water SCHEMBL15135999 0.74 ABCG2 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7122113 0.74 TUBB1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4409525 0.73 TSHR (0.61) CYP3A4MAPTTPMTALDH1A1POLB
SCHEMBL5478335 0.73 MAPT (0.46) NQO2ABCG2PDE4APDE4BPDE4C
SCHEMBL13268825 0.73 HTT (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL502652 0.72 PDE4A (0.42) 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-2207784-A1 LUMINOPHORES University of York (GB) 2010-07-21 — — EP disclosed
WO-2009040551-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2009-04-02 — — WO disclosed
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