SCHEMBL4328147

SCHEMBL4328147

O=Cc1cc([N+](=O)[O-])cc(-c2ccc3ccccc3c2)c1O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.48
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
GSTP1 P09211 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LCK P06239 1/20 0.38

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
SCHEMBL4329052 0.85 ERN1 (0.50) ERN1RAB9A
SCHEMBL7137309 0.85 ERN1 (0.52) ERN1RAB9A
SCHEMBL3967175 0.76 HDAC4 (0.61) ERN1HDAC4HDAC2HDAC8GSTP1
SCHEMBL12492120 0.74 ERN1 (0.69) ERN1MEN1KMT2A
SCHEMBL31406989 0.73 GSTP1 (0.57) ERN1HDAC4HDAC2HDAC8MEN1
SCHEMBL31406988 0.73 GSTP1 (0.57) ERN1HDAC4HDAC2HDAC8MEN1
SCHEMBL868484 0.73 GSTP1 (0.57) ERN1HDAC4HDAC2HDAC8MEN1
SCHEMBL27493423 0.72 PTPN1 (0.48) ERN1MEN1KMT2A
SCHEMBL7643584 0.72 HDAC4 (0.55) ERN1HDAC4HDAC2HDAC8GSTP1
SCHEMBL8365467 0.70 ALDH1A1 (0.50) MEN1KMT2A

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
WO-2009141236-A1 SPIROPYRANS HAVING FLUOROPHORIC GROUPS BASF SE (DE) 2009-11-26 WO disclosed
WO-2009141236-A1 SPIROPYRANS HAVING FLUOROPHORIC GROUPS BASF SE (DE) 2009-11-26 WO disclosed