SCHEMBL7473608

SCHEMBL7473608

CC(C)(C)c1cc([C]=O)n(Cc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.62
SORT1 Q99523 5/20 0.62
NPSR1 Q6W5P4 6/20 0.51
GAA P10253 5/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
AGTR1 P30556 1/20 0.49
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL12050569 0.78 GRN (0.64) GRNSORT1NPSR1GAAMAPT
SCHEMBL13990638 0.78 GRN (0.64) GRNSORT1NPSR1GAAMAPT
SCHEMBL1010749 0.77 GRN (0.62) GRNSORT1NPSR1GAAMAPT
SCHEMBL3069753 0.77 GRN (1.00) GRNSORT1NPSR1GAAMAPT
SCHEMBL3720684 0.77 GRN (0.62) GRNSORT1NPSR1GAAMAPT
SCHEMBL21919193 0.76 GRN (0.61) GRNSORT1NPSR1GAAMAPT
SCHEMBL13219146 0.75 GRN (0.82) GRNSORT1NPSR1GAAMAPT
SCHEMBL893061 0.75 GRN (0.82) GRNSORT1NPSR1GAAMAPT
SCHEMBL20933027 0.75 GRN (0.63) GRNSORT1NPSR1GAAMAPT
SCHEMBL1897360 0.74 GRN (0.80) GRNSORT1NPSR1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054886-B1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-09-04 EP disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO disclosed