SCHEMBL13284147

SCHEMBL13284147

C=C(C)Nc1cccc(-n2cc(C3CC3)ccc2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
GAA P10253 2/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 1/20 0.36
JAK2 O60674 3/20 0.35
BRD4 O60885 3/20 0.35
AKT1 P31749 1/20 0.35
MCHR1 Q99705 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ3 P48549 1/20 0.34
NOX4 Q9NPH5 1/20 0.34

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
SCHEMBL10059459 0.89 GAA (0.48) DRD4DRD2DRD3GAANPC1
SCHEMBL13075035 0.81 HSD17B10 (0.53) GAANPC1NOX4
SCHEMBL13284320 0.80 GAA (0.37) GAAMAPTNOX4
SCHEMBL13284152 0.77 ALDH1A1 (0.39) GAANPC1MAPTBRD4NOX4
SCHEMBL13284148 0.77 F10 (0.42) GAAMAPTNOX4
SCHEMBL13075262 0.76 CNR1 (0.38) GAANOX4
SCHEMBL13580369 0.75 CYP17A1 (0.40) MAPT
SCHEMBL13284149 0.74 ACSS2 (0.38)
SCHEMBL13284321 0.73 BRD4 (0.45) BRD4
SCHEMBL10059490 0.73 KDM4E (0.53) DRD4DRD2DRD3NPC1

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
WO-2010085805-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. (US) 2010-07-29 WO disclosed