SCHEMBL6534811

SCHEMBL6534811

CCOc1ccc(Oc2c(N)cc(C(=O)OC)cc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.49
MAPT P10636 5/20 0.47
PARP10 Q53GL7 1/20 0.47
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
PLK1 P53350 1/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL6534866 0.85 CA1 (0.58) USP2MAPTPARP10ALDH1A1GAA
SCHEMBL6135858 0.83 MAPT (0.47) MAPTPARP10ALDH1A1KDM4EPLK1
SCHEMBL11545452 0.82 USP2 (0.54) USP2MAPTALDH1A1GAAHPGD
SCHEMBL6136038 0.79 MAPT (0.56) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL204175 0.78 MAPT (0.75) MAPTPARP10ALDH1A1GAAHPGD
SCHEMBL13740239 0.76 ALDH1A1 (0.59) MAPTPARP10ALDH1A1GAAHPGD
Benzene SCHEMBL27509819 0.75 MAPT (0.72) MAPTPARP10ALDH1A1GAAHPGD
SCHEMBL11171580 0.74 KDM4E (0.50) MAPTPARP10ALDH1A1GAAHSD17B10
SCHEMBL3176817 0.74 KDM4E (0.54) USP2MAPTPARP10ALDH1A1GAA
SCHEMBL31388082 0.74 ALDH1A1 (0.45) USP2MAPTPARP10ALDH1A1GAA

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-1003498-A4 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS BIOSOURCE TECH INC (US) 2004-07-14 EP disclosed
US-6169104-B1 COMPOUNDS BIND TUBULIN AND EXHIBIT ANTI-MITOTIC PROPERTIES; USING SUCH COMPOUNDS TO INHIBIT ABNORMAL CELL MITOSIS AND, IN PARTICULAR, TO INHIBIT TUMOR CELL GROWTH LARGE SCALE BIOLOGY CORPORATION 2001-01-02 US disclosed
EP-1003498-A1 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS Biosource Technologies, Inc. (US) 2000-05-31 EP disclosed
WO-1998042328-A1 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS BIOSOURCE TECHNOLOGIES, INC. (US) 1998-10-01 WO disclosed