SCHEMBL8697553

SCHEMBL8697553

Brc1cc2ccc1-2.CCOC(=O)c1ccccc1NC(=O)COCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
HSD17B10 Q99714 4/20 0.61
TSHR P16473 3/20 0.55
MAPK10 P53779 1/20 0.55
TDP1 Q9NUW8 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.49
CSNK1D P48730 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL8700494 0.80 KDM4E (0.46) KDM4EHSD17B10TSHRMAPK10TDP1
SCHEMBL30170803 0.74 KDM4E (0.52) KDM4EHSD17B10TSHRMAPK10TDP1
SCHEMBL8482565 0.72 KDM4E (0.73) KDM4EHSD17B10L3MBTL1ALDH1A1POLB
SCHEMBL10501732 0.72 KDM4E (0.78) KDM4EHSD17B10TSHRMAPK10TDP1
SCHEMBL7435743 0.72 TSHR (1.00) KDM4EHSD17B10TSHRMAPK10TDP1
SCHEMBL15846056 0.72 ALDH1A1 (0.58) KDM4EHSD17B10TSHRMAPK10TDP1
SCHEMBL6410314 0.71 KDM4E (0.72) KDM4EHSD17B10TSHRMAPK10TDP1
SCHEMBL14085807 0.71 KDM4E (0.76) KDM4EHSD17B10TSHRMAPK10TDP1
SCHEMBL844974 0.71 CSNK1D (0.52) KDM4EHSD17B10TSHRMAPK10TDP1
SCHEMBL16632075 0.71 ALDH1A1 (0.60) KDM4EHSD17B10TSHRMAPK10TDP1

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-5834468-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANALGESICS TREATING RHEUMATIC DISEASE, BONE DISORDER, INJURIES ZENECA LIMITED (GB) 1998-11-10 US disclosed