SCHEMBL2957388

SCHEMBL2957388

O=[N+]([O-])c1ccccc1-c1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GUSB P08236 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ C1R P00736 1/20 0.42
▸ ALDH1A1 P00352 8/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HTT P42858 2/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KLK3 P07288 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ HSD11B1 P28845 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
SCHEMBL2954590 0.82 KMT2A (0.48) MEN1MAPTKMT2AGUSBF2
SCHEMBL2951107 0.80 ALDH1A1 (0.64) MEN1MAPTKMT2AGUSBALDH1A1
SCHEMBL27796138 0.79 MEN1 (0.39) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL24462147 0.77 DHFR (0.50) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL30714897 0.77 DHFR (0.50) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL28050243 0.77 DHFR (0.39) MEN1MAPTKMT2AALDH1A1HTT
SCHEMBL29959680 0.76 ALDH1A1 (0.50) MEN1MAPTKMT2AGUSBF2
SCHEMBL26693461 0.76 ALDH1A1 (0.50) MEN1MAPTKMT2AGUSBF2
SCHEMBL2951117 0.75 ALDH1A1 (0.58) MEN1MAPTKMT2AGUSBALDH1A1
SCHEMBL17861293 0.75 KDM4E (0.46) MEN1MAPTKMT2AGUSBF2

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
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