SCHEMBL6171996

SCHEMBL6171996

COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2sc(C3CC3)nc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
ROCK2 O75116 1/20 0.41
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL6168793 0.81 PDE4B (0.46) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6173003 0.80 TP53 (0.56) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6173264 0.77 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6173220 0.75 TP53 (0.54) ALDH1A1MAPTHPGDSMN1; SMN2TSHR
SCHEMBL5795700 0.74 MAPT (0.56) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6963540 0.71 MAPT (0.49) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL7253960 0.71 PDE4B (0.52) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6610918 0.71 MAPT (0.52) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL5798828 0.70 MAPT (0.56) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6613477 0.69 MAPK1 (0.47) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263757-B1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2005-07-27 EP disclosed
EP-1263757-A1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS Darwin Discovery Limited (GB) 2002-12-11 EP disclosed
US-6313116-B1 PHOSPHODIESTERASE INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2001-11-06 US disclosed
WO-2001058897-A1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-08-16 WO disclosed