SCHEMBL9706985

SCHEMBL9706985

[CH]c1cc([N+](=O)[O-])cc(COC(=O)C(=C)C)c1S

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 3/20 0.35
NPC1 O15118 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
GLO1 Q04760 1/20 0.32
LMNA P02545 2/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
MAPT P10636 2/20 0.31
AKR1B1 P15121 1/20 0.31
MITF O75030 1/20 0.31
XBP1 P17861 1/20 0.31
HPGD P15428 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL8553669 0.85 ERN1 (0.41) ALDH1A1SMN1; SMN2POLBRAB9AHTT
SCHEMBL11024806 0.78 KMT2A (0.38) ALDH1A1SMN1; SMN2POLBRAB9AHTT
SCHEMBL11029585 0.77 CYP1A2 (0.44) ALDH1A1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL11028650 0.76 HTT (0.42) ALDH1A1SMN1; SMN2HTTNPC1KMT2A
SCHEMBL11026774 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBRAB9ANPC1
SCHEMBL8125146 0.75 ERN1 (0.50) ALDH1A1SMN1; SMN2POLBRAB9AHTT
SCHEMBL11029734 0.74 KMT2A (0.42) ALDH1A1POLBHTTNPC1KMT2A
SCHEMBL8553675 0.74 ERN1 (0.38) ALDH1A1SMN1; SMN2POLBRAB9AHTT
SCHEMBL11023061 0.74 CYP1A2 (0.54) ALDH1A1SMN1; SMN2POLBKMT2ALMNA
SCHEMBL9846467 0.73 ERN1 (0.40) ALDH1A1SMN1; SMN2POLBRAB9AHTT

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-0466938-A1 HIGH-MOLECULAR SPIROPYRAN COMPOUND OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-01-22 EP disclosed