SCHEMBL2951781

SCHEMBL2951781

COc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3c4ccccc4c4ccccc4c32)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RAB9A P51151 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 4/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ MAPT P10636 5/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ APP P05067 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ NPC1 O15118 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
SCHEMBL2951117 0.91 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTRAB9ANPSR1
SCHEMBL2951107 0.87 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTTMAPK1RAB9A
SCHEMBL2581671 0.87 ALDH1A1 (0.57) ALDH1A1HTTHPGDRAB9ANPSR1
SCHEMBL2588310 0.83 ALDH1A1 (0.53) ALDH1A1RAB9ANPSR1MEN1KMT2A
SCHEMBL30273884 0.83 ALDH1A1 (0.53) ALDH1A1RAB9ANPSR1MEN1KMT2A
SCHEMBL29095912 0.82 ALDH1A1 (0.53) ALDH1A1HPGDRAB9ANPSR1MEN1
SCHEMBL2954971 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTHPGDRAB9A
SCHEMBL27817104 0.77 MEN1 (0.49) ALDH1A1RAB9ANPSR1MEN1KMT2A
SCHEMBL17793423 0.75 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTRAB9AMEN1
SCHEMBL29746884 0.75 OXTR (0.50) ALDH1A1SMN1; SMN2HPGDRAB9ANPSR1

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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