SCHEMBL4722906

SCHEMBL4722906

CCN(C)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCCCC3)ccc2N)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 4/20 0.49
HTT P42858 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL4723982 0.92 GAA (0.51) MAPTALDH1A1MAPK1HTTPOLB
SCHEMBL4723252 0.90 TUBB4A (0.40) MAPTALDH1A1MAPK1HTTPOLB
SCHEMBL4724361 0.88 TUBB4A (0.41) ALDH1A1POLBGAATUBB4ATUBB
SCHEMBL4766563 0.87 MAPT (0.52) MAPTALDH1A1MAPK1HTTPOLB
SCHEMBL4721521 0.87 TUBB4A (0.42) MAPTALDH1A1GAATUBB4ATUBB
SCHEMBL4721243 0.85 KDM4E (0.38) MAPTALDH1A1HTTPOLBGAA
SCHEMBL4722339 0.84 HDAC1 (0.43) POLBBACE1ADORA3ADORA2AADORA1
SCHEMBL4719745 0.84 MEN1 (0.41) MAPTALDH1A1HTTPOLBGAA
SCHEMBL4722912 0.83 MAPT (0.49) MAPTALDH1A1MAPK1HTTPOLB
SCHEMBL4721837 0.83 CYP1A2 (0.42) MAPTALDH1A1MAPK1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed