SCHEMBL8102330

SCHEMBL8102330

COC(=O)c1ccc(SCCO)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 6/20 0.59
MAPT P10636 4/20 0.58
CA2 P00918 2/20 0.55
VCAM1 P19320 1/20 0.53
APEX1 P27695 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1995617 0.88 HPGD (0.59) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL5300903 0.87 HPGD (0.58) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL23768982 0.86 HPGD (0.63) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL21291391 0.85 HPGD (0.61) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL8418979 0.85 HPGD (0.56) HPGDPOLBALDH1A1MAPTCA2
SCHEMBL8427051 0.85 CA2 (0.62) ALDH1A1MAPTCA2VCAM1APEX1
SCHEMBL14476018 0.84 HPGD (0.67) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL2001981 0.83 APEX1 (0.72) ALDH1A1MAPTCA2APEX1TDP1
SCHEMBL5917877 0.83 HPGD (0.66) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL7357430 0.82 HPGD (0.64) HPGDPOLBALDH1A1MAPTVCAM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP disclosed