SCHEMBL6586428

SCHEMBL6586428

CNc1nc2ccc([N+](=O)[O-])cc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 5/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
LMNA P02545 1/20 0.50
CASP3 P42574 1/20 0.50
POLB P06746 2/20 0.48
KDM4E B2RXH2 3/20 0.45
GAA P10253 3/20 0.45
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43

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
SCHEMBL3748833 0.88 POLB (0.60) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL10509369 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL11818974 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2062399 0.80 MAPT (0.60) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL22468052 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL14075978 0.78 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL8708846 0.78 C1R (0.51) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL5155914 0.78 MAPT (0.61) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL19899594 0.77 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL5695548 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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