SCHEMBL2954590

SCHEMBL2954590

Cn1c(-c2ccccc2[N+](=O)[O-])nc2c3ccccc3c3ccccc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HSD11B1 P28845 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MGAM O43451 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ GUSB P08236 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ C1R P00736 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ KLK3 P07288 1/20 0.40
▸ PDE5A O76074 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL2957388 0.82 MEN1 (0.42) KMT2AMEN1MAPTHPGDHSD11B1
SCHEMBL2954971 0.78 ALDH1A1 (0.58) KMT2AMEN1MAPTHPGDKDM4E
SCHEMBL7717023 0.76 MGAM (0.48) KMT2AMEN1MAPTHPGDHSD11B1
SCHEMBL28015212 0.76 KMT2A (0.59) KMT2AMEN1MAPTHPGDKDM4E
SCHEMBL7717021 0.76 MGAM (0.54) KMT2AMEN1MAPTHSD11B1ALDH1A1
SCHEMBL27062615 0.76 MEN1 (0.50) KMT2AMEN1MAPTHPGDKDM4E
SCHEMBL2947822 0.75 MAPT (0.51) KMT2AMEN1MAPTHPGDKDM4E
SCHEMBL5326923 0.74 MAPT (0.51) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL6514322 0.73 ALDH1A1 (0.62) KMT2AMEN1MAPTHPGDKDM4E
SCHEMBL822576 0.71 HPGD (0.55) KMT2AMEN1MAPTHPGDKDM4E

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
Send feedback