SCHEMBL4973142

SCHEMBL4973142

Cc1n[nH]c(C)c1CCNc1[c]ccc(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
CHEK1 O14757 1/20 0.38
AKT2 P31751 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
TTR P02766 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 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
SCHEMBL2001283 0.65 KDM4E (0.37) MAPK1KDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL17413784 0.65 HRH4 (0.49) MAPK1KDM4EHSD17B10LMNAHTT
SCHEMBL2077314 0.62 MAPK1 (0.96) MAPK1KDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL2077312 0.61 MAPK1 (0.67) MAPK1KDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL1774454 0.60 LMNA (0.66) MAPK1KDM4EHSD17B10SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL23068261 0.59 LMNA (0.64) MAPK1KDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL9572239 0.58 LMNA (0.50) MAPK1KDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL6051869 0.57 BRD4 (0.45) MAPK1KDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL873114 0.57 AKT2 (1.00) MAPK1CHEK1AKT2KMT2ANPSR1
SCHEMBL628152 0.57 MEN1 (0.50) SMN1; SMN2MAPTTSHRMEN1KMT2A

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-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed