SCHEMBL4722912

SCHEMBL4722912

CCCNc1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCCCC3)ccc2N)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
ACP1 P24666 1/20 0.41
GAA P10253 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
SCHEMBL4723995 0.92 GAA (0.50) MAPTHTTALDH1A1MAPK1POLB
SCHEMBL4723258 0.90 HTT (0.42) MAPTHTTALDH1A1MAPK1POLB
SCHEMBL4719751 0.84 ADRA1D (0.44) MAPTHTTALDH1A1ACP1GAA
SCHEMBL4724315 0.83 MEN1 (0.45) MAPTALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL4722906 0.83 MAPT (0.49) MAPTHTTALDH1A1MAPK1POLB
SCHEMBL4723079 0.82 MEN1 (0.44) MAPTALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL4722685 0.80 MEN1 (0.46) MAPTHTTALDH1A1MAPK1POLB
SCHEMBL4723860 0.76 ADRA1D (0.42) MAPTALDH1A1MAPK1SMN1; SMN2ADRA1D
SCHEMBL4722809 0.76 GAA (0.54) MAPTHTTALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL4719619 0.75 MAPT (0.54) MAPTHTTALDH1A1MAPK1POLB

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