SCHEMBL2820005

SCHEMBL2820005

CCc1nc2cc(F)c(F)cc2c(OC(=O)OC(C)C)c1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
FBP1 P09467 1/20 0.30

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
SCHEMBL2820547 0.91 ALDH1A1 (0.32) ALDH1A1LMNAHPGDSMN1; SMN2TDP1
SCHEMBL2823122 0.89 ALDH1A1 (0.38) ALDH1A1LMNAHPGDKDM4EL3MBTL1
SCHEMBL2823560 0.86 KMT2A (0.35) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL2823361 0.84 GAA (0.35) ALDH1A1LMNAHPGDKDM4EL3MBTL1
SCHEMBL2823578 0.83 ALDH1A1 (0.33) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL2819625 0.83 GAA (0.37) ALDH1A1LMNAHPGDKDM4EL3MBTL1
SCHEMBL2818871 0.81 ATM (0.35) ALDH1A1KDM4EL3MBTL1KMT2AMAPT
SCHEMBL2819552 0.79 KDM4E (0.32) ALDH1A1TDP1KDM4EL3MBTL1MEN1
SCHEMBL2821626 0.79 SMN1; SMN2 (0.34) SMN1; SMN2KDM4EL3MBTL1MEN1KMT2A
SCHEMBL28456406 0.79 GAA (0.37) ALDH1A1LMNAHPGDKDM4EL3MBTL1

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-1386914-B1 HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS MEIJI SEIKA KAISHA (JP) 2010-10-27 EP disclosed