SCHEMBL2957488

SCHEMBL2957488

COc1ccc(-c2nc(-c3ccccc3[N+](=O)[O-])n(C)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.53
TEK Q02763 5/20 0.44
EIF4E P06730 1/20 0.44
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MAPK13 O15264 1/20 0.42
CSF1R P07333 1/20 0.42
FGFR1 P11362 1/20 0.42
KDR P35968 1/20 0.42
TGFBR1 P36897 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL2951932 0.81 RAB9A (0.52) HTR7TEKNPC1RAB9AKDM4E
SCHEMBL2957412 0.78 MAPT (0.48) HTR7TEKMAPTALDH1A1LMNA
SCHEMBL27881874 0.77 LMNA (0.59) TEKKDM4EMAPTALDH1A1LMNA
SCHEMBL2961408 0.77 ALDH1A1 (0.65) HTR7EIF4ENPC1RAB9AMAPT
SCHEMBL2948968 0.73 MAPT (0.55) TEKKDM4EMAPTMAPK13MAPK12
SCHEMBL4429243 0.72 TEK (0.60) TEKKDM4EMAPK13CSF1RFGFR1
SCHEMBL5082102 0.72 TEK (0.60) TEKKDM4EMAPK13CSF1RFGFR1
SCHEMBL6514322 0.71 ALDH1A1 (0.62) NPC1RAB9AKDM4EMAPTHSD11B1
SCHEMBL227679 0.71 PTGS2 (0.58) HTR7EIF4ENPC1RAB9AMAPT
SCHEMBL13134408 0.70 KMT2A (0.70) HTR7NPC1RAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749625-B2 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2010-07-06 US claimed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US claimed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP claimed
US-7749625-B2 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2010-07-06 US disclosed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US disclosed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP disclosed