SCHEMBL4776138

SCHEMBL4776138

O=C(CCN1c2ccccc2Sc2ccccc21)OCc1c(F)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
FNTA P49354 2/20 0.49
FNTB P49356 2/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 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
SCHEMBL13722157 0.74 MAPT (0.66) MAPTTSHRNPSR1ALDH1A1HSD17B10
SCHEMBL8568308 0.72 HDAC6 (0.56) MAPTTSHRNPSR1ALDH1A1HSD17B10
SCHEMBL7128049 0.71 MAPT (0.71) MAPTTSHRNPSR1ALDH1A1HSD17B10
SCHEMBL13722057 0.71 MAPT (0.61) MAPTTSHRNPSR1ALDH1A1HSD17B10
SCHEMBL13722563 0.69 MEN1 (0.73) MAPTALDH1A1FNTAFNTBMEN1
SCHEMBL31378972 0.69 TDP1 (0.58) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL27284080 0.69 KMT2A (0.50) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL13034152 0.68 SMN1; SMN2 (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL31014072 0.68 MEN1 (1.00) MAPTALDH1A1FNTAFNTBMEN1
SCHEMBL179882 0.68 MEN1 (1.00) MAPTALDH1A1FNTAFNTBMEN1

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
WO-2008009935-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USE UCL BUSINESS PLC (GB) 2008-01-24 WO claimed
WO-2008009935-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USE UCL BUSINESS PLC (GB) 2008-01-24 WO disclosed