SCHEMBL6587408

SCHEMBL6587408

COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.58
CTSL P07711 1/20 0.58
TBXA2R P21731 2/20 0.56
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
MAPT P10636 6/20 0.55
PKM P14618 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
NPC1 O15118 2/20 0.55
HSP90AA1 P07900 1/20 0.55
PAX8 Q06710 1/20 0.55
GAA P10253 3/20 0.52
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL6757032 0.91 ALDH1A1 (0.55) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL9096671 0.90 TDP1 (0.59) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL5214818 0.89 MAPT (0.56) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL9234021 0.89 ALDH1A1 (0.52) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL6590677 0.88 CTSV (0.67) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL1021641 0.86 CTSV (0.55) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL4929690 0.86 CTSV (0.55) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL6154929 0.86 CTSV (0.55) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL570064 0.86 TDP1 (0.57) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL178001 0.84 TDP1 (0.52) CTSVCTSLMEN1KMT2AMAPT

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-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed