SCHEMBL6582320

SCHEMBL6582320

CC(=O)OCc1nc2cc(Cl)c(C)cc2c(=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC6 Q9UBN7 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TNF P01375 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
PDE10A Q9Y233 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BDKRB2 P30411 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6579962 0.86 L3MBTL1 (0.39) KDM4ETDP1ALOX15TSHRL3MBTL1
SCHEMBL6582992 0.74 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10MAPT
SCHEMBL8485814 0.67 GAA (0.43) KDM4ETSHRHDAC6ALDH1A1TNF
SCHEMBL11267704 0.67 PPARG (0.38) KDM4ETDP1TSHRHDAC6MEN1
SCHEMBL30038312 0.66 RORC (0.33) KDM4ETDP1MEN1USP2MAPT
SCHEMBL24098940 0.65 L3MBTL1 (0.40) L3MBTL1HDAC6ALDH1A1HDAC8USP2
SCHEMBL29606534 0.65 HSD17B10 (0.41) KDM4EL3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL28773420 0.65 HSD17B10 (0.41) KDM4EL3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL6584578 0.63 KDM4E (0.42) KDM4EALDH1A1HSD17B10MAPT
SCHEMBL9386679 0.62 ALDH1A1 (0.44) KDM4ETDP1L3MBTL1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155012-B1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER REC TECH LTD (GB) 2004-04-14 EP disclosed
US-6699861-B1 ANTI-CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-02 US disclosed
EP-1155012-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES Cancer Research Ventures Limited (GB) 2001-11-21 EP disclosed
WO-2000050417-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER RESEARCH VENTURES LIMITED (GB) 2000-08-31 WO disclosed