SCHEMBL4593935

SCHEMBL4593935

CCCCC(=O)c1cccc(N(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B3 P37058 5/20 0.49
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
HTR7 P34969 1/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
KDM2B Q8NHM5 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1983267 0.90 L3MBTL1 (0.51) THRATHRBKMT2AL3MBTL1HSD17B3
SCHEMBL10482996 0.84 HSD17B3 (0.60) THRATHRBKMT2AL3MBTL1HSD17B3
SCHEMBL941088 0.83 KMT2A (0.54) KMT2AL3MBTL1POLBLMNAKDM4E
Hydrochloric Acid SCHEMBL7312871 0.81 KMT2A (0.53) KMT2AL3MBTL1POLBLMNAKDM4E
SCHEMBL11108445 0.80 KMT2A (0.58) KMT2AL3MBTL1POLBLMNAKDM4E
SCHEMBL6514676 0.80 HSD17B3 (0.65) THRATHRBL3MBTL1HSD17B3LMNA
SCHEMBL29081476 0.79 THRA (0.43) THRATHRBKMT2AL3MBTL1POLB
SCHEMBL29315332 0.78 HSD17B3 (0.53) THRATHRBL3MBTL1HSD17B3LMNA
SCHEMBL4931177 0.78 CTNNB1 (0.56) HSD17B3HTR7ALDH1A1MAPTHPGD
SCHEMBL3896481 0.78 OGG1 (0.58) KMT2AL3MBTL1HSD17B3POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898909-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
EP-1898914-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
WO-2007000435-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 WO disclosed
WO-2007000434-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 WO disclosed