SCHEMBL4554301

SCHEMBL4554301

CCOC(=O)c1c[nH]c(=O)c(I)c1.CCOC(=O)c1c[nH]c(=O)c(SCCO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.39
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
IMPDH2 P12268 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 3/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL3154774 0.93 ALDH1A1 (0.41) FGFR1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL1680787 0.85 CA12 (0.46) ALDH1A1MAPTLMNAL3MBTL1IMPDH2
SCHEMBL4554300 0.74 FGFR1 (0.39) FGFR1ALDH1A1MAPTLMNACA12
SCHEMBL20661372 0.71 ALDH1A1 (0.49) ALDH1A1MAPTLMNAL3MBTL1CA12
SCHEMBL27748064 0.71 CYP4F2 (0.43) ALDH1A1MAPTLMNAL3MBTL1IMPDH2
SCHEMBL22623624 0.70 CA12 (0.47) ALDH1A1MAPTLMNAL3MBTL1CA12
SCHEMBL19878641 0.69 CA12 (0.50) ALDH1A1LMNAL3MBTL1IMPDH2CA12
SCHEMBL544803 0.69 PKM (0.47) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL19739792 0.68 CA12 (0.42) ALDH1A1MAPTLMNAL3MBTL1CA12
SCHEMBL25905328 0.67 CA12 (0.45) ALDH1A1MAPTLMNAL3MBTL1CA12

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
EP-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed