SCHEMBL2954971

SCHEMBL2954971

Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2c3ccccc3c3ccccc3c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ RXFP1 Q9HBX9 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ PKM P14618 2/20 0.58
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ MAPT P10636 5/20 0.48
▸ HTT P42858 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MBD2 Q9UBB5 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TNKS O95271 2/20 0.43
▸ TNKS2 Q9H2K2 2/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ GUSB P08236 1/20 0.41

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
SCHEMBL2947822 0.86 MAPT (0.51) ALDH1A1RAB9APKMKMT2AMEN1
SCHEMBL2951117 0.83 ALDH1A1 (0.58) ALDH1A1RXFP1RAB9APKMKMT2A
SCHEMBL2951107 0.82 ALDH1A1 (0.64) ALDH1A1RXFP1RAB9APKMKMT2A
SCHEMBL13625405 0.81 KDM4E (0.52) ALDH1A1RXFP1KMT2AMEN1MAPT
SCHEMBL822576 0.81 HPGD (0.55) ALDH1A1RAB9AKMT2AMEN1MAPT
SCHEMBL6541774 0.80 MAPT (0.41) ALDH1A1RXFP1RAB9APKMKMT2A
SCHEMBL11184362 0.79 ALDH1A1 (0.62) ALDH1A1RXFP1RAB9APKMKMT2A
SCHEMBL16692184 0.79 KDM4E (0.50) ALDH1A1RAB9APKMKMT2AMEN1
SCHEMBL762312 0.79 KDM4E (0.50) ALDH1A1RAB9APKMKMT2AMEN1
SCHEMBL2954590 0.78 KMT2A (0.48) ALDH1A1RAB9AKMT2AMEN1MAPT

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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