SCHEMBL2951117

SCHEMBL2951117

O=[N+]([O-])c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.58
▸ HTT P42858 3/20 0.58
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ PKM P14618 2/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ LMNA P02545 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ TNKS O95271 1/20 0.40
▸ GUSB P08236 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40

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
SCHEMBL2951107 0.96 ALDH1A1 (0.64) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL2951781 0.91 ALDH1A1 (0.52) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL17793423 0.83 ALDH1A1 (0.49) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL2954971 0.83 ALDH1A1 (0.58) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL21195750 0.82 MEN1 (0.48) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL31109976 0.82 MEN1 (0.48) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL28576110 0.81 GAA (0.44) ALDH1A1HTTMEN1KMT2ARXFP1
SCHEMBL17793485 0.80 ALDH1A1 (0.48) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL30507756 0.80 MEN1 (0.46) ALDH1A1HTTMEN1KMT2ARXFP1
SCHEMBL2585614 0.80 MEN1 (0.46) ALDH1A1HTTMEN1KMT2ARXFP1

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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