SCHEMBL5135609

SCHEMBL5135609

Cc1cccc(Sc2ccc(C)cc2[AsH]c2ncnc3nc(SCc4ccccc4)ncc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
POLB P06746 2/20 0.34
PKM P14618 2/20 0.34
HPGD P15428 8/20 0.34
ALDH1A1 P00352 7/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
ALOX15 P16050 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
THRB P10828 1/20 0.33
SCN9A Q15858 1/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 4/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL5135613 0.81 SCN9A (0.35) MAPTLMNAL3MBTL1POLBPKM
SCHEMBL810145 0.81 PIM1 (0.39) MAPTLMNAL3MBTL1POLBPKM
SCHEMBL811189 0.76 PIM1 (0.42) MAPTLMNAPOLBHPGDALDH1A1
SCHEMBL810905 0.75 PIM1 (0.42) MAPTLMNAPOLBHPGDALDH1A1
SCHEMBL811281 0.73 PIM1 (0.43) MAPTPOLBPKMHPGDALDH1A1
SCHEMBL810498 0.71 PIM1 (0.41) MAPTLMNARXFP1SCN9ATP53
SCHEMBL810146 0.70 METAP2 (0.40) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL811196 0.69 PIM1 (0.45) MAPTLMNAL3MBTL1POLBHPGD
SCHEMBL810346 0.67 MAPT (0.40) MAPTLMNAL3MBTL1HPGDALDH1A1
SCHEMBL811090 0.67 LMNA (0.39) MAPTLMNAMAPK1TP53MEN1

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-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed