SCHEMBL2825577

SCHEMBL2825577

O=C(NC1CC1)c1cc(Br)cc(C(=O)NC2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.58
TUBB4A P04350 2/20 0.55
TUBB P07437 2/20 0.55
TUBA3C P0DPH7 2/20 0.55
TUBA1B P68363 2/20 0.55
TUBA4A P68366 2/20 0.55
TUBB4B P68371 2/20 0.55
TUBB3 Q13509 2/20 0.55
TUBB2A Q13885 2/20 0.55
TUBB8 Q3ZCM7 2/20 0.55
TUBA3E Q6PEY2 2/20 0.55
TUBA1A Q71U36 2/20 0.55
TUBA1C Q9BQE3 2/20 0.55
TUBB6 Q9BUF5 2/20 0.55
TUBB2B Q9BVA1 2/20 0.55
TUBB1 Q9H4B7 2/20 0.55
KMT2A Q03164 5/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 5/20 0.49
MEN1 O00255 4/20 0.49

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
SCHEMBL1518413 0.96 SMYD3 (0.58) SMYD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2822965 0.93 SMYD3 (0.52) SMYD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12027226 0.90 SMYD3 (0.50) SMYD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2909582 0.89 RAB9A (0.57) SMYD3KMT2ARAB9ANPC1MEN1
SCHEMBL2826250 0.88 TUBB4A (0.56) SMYD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16236344 0.88 SMYD3 (0.51) SMYD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2820937 0.87 TUBB4A (0.55) SMYD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2825617 0.84 TUBB4A (0.50) SMYD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3525110 0.84 SMYD3 (0.48) SMYD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3212175 0.82 KMT2A (0.65) SMYD3KMT2ARAB9ANPC1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed