SCHEMBL7319925

SCHEMBL7319925

COc1ccc(Cn2c(N)c(NC(=O)C(C)C)c(=O)[nH]c2=O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 4/20 0.61
HSD17B10 Q99714 3/20 0.61
HPGD P15428 2/20 0.61
USP2 O75604 2/20 0.61
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL6672335 0.90 MAPT (0.49) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL7088560 0.89 KDM4E (0.50) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL7090585 0.83 KDM4E (0.54) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL7088585 0.81 MEN1 (0.53) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL7316278 0.75 ALDH1A1 (0.57) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL7093037 0.75 MAPT (0.49) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL7539507 0.75 KDM4E (0.41) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL7927865 0.74 SIRT2 (0.43) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL8189626 0.74 TSHR (0.55) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL2538829 0.73 ALDH1A1 (0.46) KDM4EALDH1A1MAPTHSD17B10HPGD

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
US-6248746-B1 PHOSPHODIESTERASE (PDE-IV) INHIBITOR FOR TREATMENT OF ASTHMA, ALLERGIES, ATOPIC DISEASES AND RHINITIS EURO-CELTIQUE S.A. (LU) 2001-06-19 US disclosed