SCHEMBL7168568

SCHEMBL7168568

CCC(=O)c1cnc(C(=O)OC)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
LCK P06239 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 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
SCHEMBL9782940 0.85 KMT2A (0.38) MAPK1KDM4EL3MBTL1MAPTTDP1
SCHEMBL68869 0.85 MAPK1 (0.63) MAPK1KDM4EL3MBTL1MAPTLCK
SCHEMBL12844583 0.79 MAPK1 (0.49) MAPK1KDM4EL3MBTL1MAPTLCK
SCHEMBL27964383 0.79 SIRT6 (0.62) KDM4EMAPTTDP1MEN1KMT2A
SCHEMBL10329867 0.78 MAPK1 (0.47) MAPK1KDM4EL3MBTL1MAPTLCK
SCHEMBL990711 0.78 MAPK1 (0.55) MAPK1KDM4EL3MBTL1MAPTLCK
SCHEMBL5700876 0.78 KDM4E (0.61) MAPK1KDM4EL3MBTL1MAPTLCK
SCHEMBL7170956 0.78 KDM4E (0.44) MAPK1KDM4EL3MBTL1MAPTTDP1
SCHEMBL19555964 0.77 MAPK1 (0.46) MAPK1KDM4EL3MBTL1MAPTLCK
SCHEMBL882196 0.77 HCAR3 (0.46) MAPK1KDM4EL3MBTL1MAPTLCK

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-0934276-B1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LTD (GB) 2003-12-17 EP disclosed
US-6218393-B1 IN THERAPY OF MULTIDRUG RESISTANT CANCERS, FOR EXAMPLE TO POTENTIATE CYTOTOXICITY OF CANCER DRUG XENOVA LIMITED (GB) 2001-04-17 US disclosed
EP-0934276-A1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017648-A1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LIMITED (GB) 1998-04-30 WO disclosed