SCHEMBL2951932

SCHEMBL2951932

COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)n(C)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 2/20 0.52
PKM P14618 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
APP P05067 1/20 0.50
MAPT P10636 8/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 3/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
THRB P10828 1/20 0.49
TEK Q02763 2/20 0.48
HTR7 P34969 1/20 0.48
PSD A5PKW4 1/20 0.47
USP2 O75604 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KCNJ1 P48048 1/20 0.45

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
SCHEMBL2957412 0.87 MAPT (0.48) ALDH1A1PKMMAPTSMN1; SMN2MEN1
SCHEMBL27199775 0.81 LMNA (0.49) ALDH1A1APPMEN1KMT2ALMNA
SCHEMBL27881874 0.81 LMNA (0.59) ALDH1A1RXFP1MAPTSMN1; SMN2LMNA
SCHEMBL2957488 0.81 HTR7 (0.53) RAB9AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL27237036 0.78 BCHE (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5262166 0.77 APP (0.45) RAB9AALDH1A1APPMAPTSMN1; SMN2
SCHEMBL5082102 0.75 TEK (0.60) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL4429243 0.75 TEK (0.60) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL3974325 0.75 APP (0.74) RAB9AALDH1A1APPMAPTSMN1; SMN2
SCHEMBL2455303 0.75 APP (0.74) RAB9AALDH1A1APPMAPTSMN1; SMN2

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