SCHEMBL7686166

SCHEMBL7686166

CCOC(=O)c1cn(C2CC2)c2c(CC)c(-c3cnc(C)cc3C)ccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.42
▸ TOP2A P11388 4/20 0.40
▸ TOP2B Q02880 4/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.37
▸ ELANE P08246 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GLA P06280 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ PRKACA P17612 1/20 0.35

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
SCHEMBL5734646 0.91 ADRB2 (0.44) ADRB2TOP2ATOP2BTDP1KDM4E
SCHEMBL25728190 0.80 ADRB2 (0.41) ADRB2TOP2ATOP2BTDP1KDM4E
SCHEMBL5732650 0.80 ADRB2 (0.43) ADRB2TOP2ATOP2BTDP1KDM4E
SCHEMBL5743069 0.79 ADRB2 (0.41) ADRB2TOP2ATOP2BTDP1KDM4E
SCHEMBL5735039 0.78 TOP2A (0.51) TOP2ATOP2BKDM4EPOLBALDH1A1
SCHEMBL5732825 0.78 ADRB2 (0.43) ADRB2TOP2ATOP2BTDP1KDM4E
SCHEMBL5732806 0.78 ADRB2 (0.43) ADRB2TOP2ATOP2BTDP1ELANE
SCHEMBL5733232 0.77 TOP2A (0.48) ADRB2TOP2ATOP2BTDP1MEN1
SCHEMBL5744355 0.76 ADRB2 (0.42) ADRB2TOP2ATOP2BTDP1ELANE
SCHEMBL25728191 0.75 ADRB2 (0.39) ADRB2TOP2ATOP2BTDP1LMNA

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
US-6335447-B1 BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 2002-01-01 — — US disclosed
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