SCHEMBL6580601

SCHEMBL6580601

CC(=O)OCc1nc2cc3c(cc2c(=O)[nH]1)CCC3

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 5/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PARP1 P09874 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL988602 0.87 ALDH1A1 (0.38) ALDH1A1MAPTTDP1MAPK1TSHR
SCHEMBL9386679 0.82 ALDH1A1 (0.44) ALDH1A1MAPTTDP1MAPK1KDM4E
SCHEMBL989078 0.80 GRIN2D (0.40) ALDH1A1MAPTTDP1MAPK1TSHR
SCHEMBL988873 0.77 KDM4E (0.51) ALDH1A1TDP1MAPK1TSHRTP53
SCHEMBL9556162 0.77 KDM4E (0.51) ALDH1A1MAPTMAPK1KDM4ELMNA
SCHEMBL9389151 0.77 KDM4E (0.42) ALDH1A1MAPTTDP1MAPK1ALOX15
SCHEMBL6584578 0.76 KDM4E (0.42) ALDH1A1MAPTMAPK1KDM4EGAA
SCHEMBL23882575 0.75 KDM4E (0.58) ALDH1A1MAPK1KDM4EGAALMNA
SCHEMBL9555823 0.75 ALDH1A1 (0.44) ALDH1A1MAPTTDP1MAPK1ALOX15
SCHEMBL2180069 0.75 RAB9A (0.63) ALDH1A1MAPTTDP1MAPK1TSHR

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