SCHEMBL27345346

SCHEMBL27345346

CCOC(=O)C(=CN(F)c1ccc(F)c(F)c1OC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
KMT2A Q03164 6/20 0.41
NPSR1 Q6W5P4 6/20 0.41
MEN1 O00255 5/20 0.41
LMNA P02545 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLIN1 O60240 1/20 0.39
POLB P06746 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
MEP1B Q16820 1/20 0.35
DHODH Q02127 2/20 0.35
GAA P10253 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6647935 0.82 NPSR1 (0.37) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL8622781 0.75 KMT2A (0.43) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL10656978 0.73 KMT2A (0.42) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL8625478 0.72 KMT2A (0.41) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL116506 0.72 KMT2A (0.40) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL1476620 0.72 KMT2A (0.40) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL1476623 0.72 KMT2A (0.40) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL8625558 0.72 KMT2A (0.40) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL27740998 0.71 TSHR (0.49) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL6651194 0.71 MAPT (0.39) MAPTKMT2ANPSR1MEN1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1042936-C Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-hiv agent UBE INDUSTRIES (JP) 1999-04-14 CN disclosed
CN-1086515-A Aminoquinolone derivative and anti-hiv agent that aryl or fragrant heterocyclic radical replace UBE INDUSTRIES (JP) 1994-05-11 CN disclosed