SCHEMBL3790722

SCHEMBL3790722

COc1ccc(C(=O)c2ccc(-c3nnn[nH]3)cc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36
TUBB6 Q9BUF5 2/20 0.36
TUBB2B Q9BVA1 2/20 0.36
TUBB1 Q9H4B7 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15906122 0.82 POLB (0.46) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3794588 0.81 MAPT (0.44) MAPTTUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL3790264 0.80 MAPT (0.44) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8055713 0.79 HDAC8 (0.44) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4316362 0.78 RXFP1 (0.46) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3797522 0.78 ALDH1A1 (0.50) MAPTPOLBNPC1SMN1; SMN2RAB9A
SCHEMBL3786448 0.78 MAPK1 (0.48) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13578421 0.78 MAPT (0.41) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3794087 0.77 PDE4D (0.58) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3470072 0.73 PDE4B (0.38) MAPTTSHRNPC1SMN1; SMN2PDE4D

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-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed