SCHEMBL5971901

SCHEMBL5971901

Cc1nc(Cl)ccc1[N+](=O)[O-].Cc1nc(SCCO)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPT P10636 6/20 0.40
HTT P42858 1/20 0.40
MERTK Q12866 1/20 0.38
GSR P00390 3/20 0.38
TXNRD1 Q16881 3/20 0.38
MAPK1 P28482 2/20 0.37
CA2 P00918 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 2/20 0.36
GSTP1 P09211 2/20 0.35
GSTM2 P28161 2/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35

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
SCHEMBL3254366 0.92 ALDH1A1 (0.71) ALDH1A1L3MBTL1MAPTTXNRD1MAPK1
SCHEMBL381701 0.80 MERTK (0.51) L3MBTL1MAPTHTTMERTKGSR
SCHEMBL29392605 0.80 MERTK (0.51) L3MBTL1MAPTHTTMERTKGSR
SCHEMBL3246716 0.70 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTTXNRD1GSTP1
SCHEMBL30271385 0.69 MAPT (0.53) L3MBTL1MAPTHTTMERTKGSR
SCHEMBL8710611 0.69 MAPT (0.53) L3MBTL1MAPTHTTMERTKGSR
SCHEMBL21623745 0.68 SMN1; SMN2 (0.54) ALDH1A1L3MBTL1MAPTHTTTXNRD1
SCHEMBL952538 0.67 CTSB (0.47) ALDH1A1L3MBTL1MAPTTDP1CTSB
SCHEMBL14658918 0.67 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTTXNRD1TDP1
SCHEMBL21436535 0.67 MAPT (0.49) ALDH1A1L3MBTL1MAPTHTTMERTK

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-1685090-A1 ANDROGEN RECEPTOR MODULATORS KARO BIO AB (SE) 2006-08-02 EP disclosed
WO-2005042464-A1 ANDROGEN RECEPTOR MODULATORS KARO BIO AB (SE) 2005-05-12 WO disclosed