SCHEMBL20008457

SCHEMBL20008457

C=CCCN(CCC)c1cc(-c2cc(C)ccc2C)cc(N2CCCCC2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.34
MAPK1 P28482 2/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
CRHR1 P34998 6/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 4/20 0.32
GAA P10253 3/20 0.32
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
GALR2 O43603 1/20 0.31
MEN1 O00255 2/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL20008830 0.87 RAF1 (0.34) CRHR1RAF1BRAF
SCHEMBL20008765 0.83 PDE1B (0.33) L3MBTL1MAPK1LMNACRHR1ALDH1A1
SCHEMBL20008319 0.78
SCHEMBL20008538 0.72 DRD2 (0.49) L3MBTL1MAPK1ATMSMN1; SMN2LMNA
SCHEMBL20010275 0.71
SCHEMBL20008122 0.71 SMN1; SMN2 (0.46) L3MBTL1MAPK1ATMSMN1; SMN2LMNA
SCHEMBL19529392 0.69 RAF1 (0.40) L3MBTL1MAPK1ATMSMN1; SMN2LMNA
SCHEMBL20008452 0.69 GALR2 (0.44) L3MBTL1MAPK1ATMSMN1; SMN2LMNA
SCHEMBL20008460 0.68 RAF1 (0.41) L3MBTL1MAPK1ATMSMN1; SMN2LMNA
SCHEMBL20008434 0.67 CRHR1 (0.34) CRHR1

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed