SCHEMBL6314154

SCHEMBL6314154

Cc1cc(O)c(C)c2c1NCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
GAA P10253 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
TP53 P04637 1/20 0.36
MPI P34949 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 3/20 0.33
PARP1 P09874 3/20 0.33

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
SCHEMBL14283938 0.91 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10GAACASP1
SCHEMBL6314736 0.74 HTR2A (0.36) KDM4EALDH1A1HSD17B10GAACASP1
SCHEMBL18920124 0.72 PNMT (0.39) KDM4EHSD17B10LMNAALOX15ACHE
SCHEMBL19373850 0.71 ACHE (0.32) KDM4EALDH1A1HSD17B10GAAMEN1
SCHEMBL6028962 0.71 ADCY5 (0.43) KDM4EALDH1A1HSD17B10CASP1CASP7
Bromide SCHEMBL18920128 0.70 PNMT (0.38) KDM4EHSD17B10LMNAALOX15ACHE
SCHEMBL11981378 0.69 PARP10 (0.46) KDM4EALDH1A1HSD17B10GAACASP1
SCHEMBL9507295 0.69 ACHE (0.40) KDM4EALDH1A1HSD17B10GAACASP1
SCHEMBL6315518 0.67 NNMT (0.35) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6315508 0.67 HTT (0.34) ALDH1A1LMNAKMT2AHTTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872718-B1 Tricyclic dihydrobenzofuran derivatives, process for the preparation thereof and agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
EP-1211253-B1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-10-13 EP disclosed
EP-1211253-A1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed