SCHEMBL2821998

SCHEMBL2821998

CCc1nc2ccc(F)c(F)c2c(OC(=O)C2CCC2)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
GRM1 Q13255 2/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31
ABL1 P00519 1/20 0.31
MMP13 P45452 2/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 2/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
CA2 P00918 1/20 0.30
TNKS O95271 1/20 0.30
PARP1 P09874 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
SCHEMBL2819562 0.96 USP2 (0.37) KMT2ATDP1USP2GRM1ALDH1A1
SCHEMBL23653190 0.87 USP2 (0.37) KMT2AHTTUSP2GRM1ALDH1A1
SCHEMBL2823475 0.85 USP2 (0.36) KMT2ASMN1; SMN2TDP1USP2L3MBTL1
SCHEMBL2823051 0.83 MMP13 (0.34) KMT2ASMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL2823045 0.82 KMT2A (0.33) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2821636 0.82 GAA (0.36) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2851123 0.81 KDM4E (0.34) KMT2AHTTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2822078 0.81 MMP13 (0.37) KMT2ATDP1L3MBTL1ALDH1A1MMP13
SCHEMBL5833104 0.80 GPR119 (0.31)
SCHEMBL2823000 0.80 USP2 (0.37) KMT2AHTTSMN1; SMN2TDP1USP2

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