SCHEMBL8560540

SCHEMBL8560540

CCOC(=O)c1cccnc1Oc1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
TDP1 Q9NUW8 1/20 0.58
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 4/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL20831533 0.90 TDP1 (0.72) GAATDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL15912476 0.89 TDP1 (0.57) GAATDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL3454518 0.89 POLB (0.61) GAATDP1KMT2AMEN1L3MBTL1
SCHEMBL850967 0.86 ELANE (0.53) GAATDP1KMT2AMEN1L3MBTL1
SCHEMBL7372537 0.84 TDP1 (0.56) TDP1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL8730084 0.83 TDP1 (0.70) GAATDP1KMT2AMEN1L3MBTL1
SCHEMBL7369514 0.83 CARM1 (0.52) TDP1KMT2AL3MBTL1MAPK1ALDH1A1
SCHEMBL6388905 0.83 TDP1 (0.49) GAATDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL7372704 0.83 NPC1 (0.54) TDP1KMT2AL3MBTL1CYP1A2CYP2C9
SCHEMBL2781160 0.82 GAA (0.67) GAATDP1KMT2AMEN1L3MBTL1

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
EP-0680481-B1 DERIVATES OF AZAANTHRAQUINONE AND AZAXANTHONE, HERBICIDES AND PLANT GROWTH REGULATORS CONTAINING THE SAME BASF AG (DE) 1998-04-01 EP disclosed