SCHEMBL9056459

SCHEMBL9056459

CC(C)(C)OC(=O)NCc1ccc(-n2cc(OC(=O)O)c(=O)c3ccc(N4CCN(c5ccc(F)cc5)CC4)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.40
GRM2 Q14416 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ENPP2 Q13822 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL9057039 0.84 MAPK8 (0.41) MAPK8LMNAMEN1KMT2AGRM2
Hydrochloric Acid SCHEMBL9055968 0.82 LMNA (0.43) MAPK8LMNAMEN1KMT2AGRM2
SCHEMBL9055563 0.76 MAPK8 (0.37) MAPK8LMNAMEN1KMT2AGRM2
SCHEMBL9055411 0.76 GAA (0.38) MAPK8MEN1KMT2AGRM2GAA
SCHEMBL9056332 0.75 MAPK8 (0.44) MAPK8MEN1KMT2ACYP2C19HTT
SCHEMBL9055113 0.71 MAPK8 (0.51) MAPK8MEN1KMT2ATP53GRM2
SCHEMBL27377876 0.71 TP53 (0.45) LMNAMEN1KMT2ATP53GRM2
SCHEMBL30751303 0.71 TP53 (0.45) LMNAMEN1KMT2ATP53GRM2
SCHEMBL9055819 0.71 MAPK8 (0.39) MAPK8LMNAMEN1KMT2AGRM2
SCHEMBL10686348 0.71 ALDH1A1 (0.50) LMNAMEN1KMT2ATP53KDM4E

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
WO-1996002510-A1 NOVEL 1-[4(AMINO METHYL)PHENYL] SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed