SCHEMBL5833077

SCHEMBL5833077

O=S(=O)(c1ccccc1)n1c(CO)cc2ccncc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
PPARD Q03181 2/20 0.44
NAMPT P43490 1/20 0.43
IDE P14735 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTR6 P50406 5/20 0.41
PIK3C3 Q8NEB9 2/20 0.41
SRC P12931 1/20 0.40
CXCL8 P10145 1/20 0.39
NOD1 Q9Y239 1/20 0.39
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 1/20 0.36

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
SCHEMBL27247090 0.83 PPARG (0.52) PPARGPPARAPPARDIDERECQL
SCHEMBL21115189 0.80 HTR6 (0.44) NAMPTRECQLALDH1A1LMNAMAPT
SCHEMBL4035724 0.78 ALDH1A1 (0.52) NAMPTRECQLALDH1A1LMNAMAPT
SCHEMBL5833331 0.77 RECQL (0.43) NAMPTRECQLALDH1A1LMNAMAPT
SCHEMBL17422763 0.77 PPARG (0.44) PPARGPPARAPPARDIDERECQL
SCHEMBL16235707 0.77 PPARG (0.59) PPARGPPARAPPARDLMNASRC
SCHEMBL17556132 0.77 PPARG (0.59) PPARGPPARAPPARDLMNASRC
SCHEMBL4271243 0.77 RECQL (0.57) NAMPTRECQLALDH1A1LMNAMAPT
SCHEMBL4273734 0.77 MAPT (0.57) NAMPTRECQLALDH1A1LMNAMAPT
SCHEMBL10552139 0.76 PIK3C3 (0.48) PPARGPPARAPPARDIDERECQL

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-1732566-A2 6-AZAINDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005097129-A2 6-AZAINDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-20 WO disclosed