SCHEMBL9302982

SCHEMBL9302982

O=[N+]([O-])c1ccc(NN(c2ccccc2)[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
ALDH1A1 P00352 7/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
ATM Q13315 2/20 0.56
ALOX12 P18054 2/20 0.56
TLR9 Q9NR96 1/20 0.56
HPGD P15428 1/20 0.56
CXCR2 P25025 1/20 0.49
LMNA P02545 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MITF O75030 1/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 6/20 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
SCHEMBL6373877 0.83 MEN1 (0.59) MEN1KMT2AALDH1A1L3MBTL1CRHBP
SCHEMBL9070301 0.80 MEN1 (0.56) MEN1KMT2AALDH1A1L3MBTL1CRHBP
SCHEMBL27503044 0.80 MEN1 (0.40) MEN1KMT2AALDH1A1L3MBTL1CRHBP
SCHEMBL27732618 0.74 ALDH1A1 (0.96) MEN1KMT2AALDH1A1L3MBTL1CRHBP
SCHEMBL7782116 0.73 MAPK1 (0.53) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL27270538 0.73 ALDH1A1 (0.56) MEN1KMT2AALDH1A1L3MBTL1CRHBP
SCHEMBL10658138 0.73 ALDH1A1 (0.71) MEN1KMT2AALDH1A1L3MBTL1CRHBP
SCHEMBL5499425 0.73 ALDH1A1 (0.71) MEN1KMT2AALDH1A1L3MBTL1CRHBP
SCHEMBL1039452 0.72 ALDH1A1 (1.00) MEN1KMT2AALDH1A1L3MBTL1CRHBP
SCHEMBL17817838 0.72 ALDH1A1 (1.00) MEN1KMT2AALDH1A1L3MBTL1CRHBP

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
CN-101571506-B Formaldehyde sensor RAE SYSTEMS (SHANGHAI) INC. (CN) 2016-02-24 CN claimed
CN-101571506-A Formaldehyde sensor RAE SYSTEMS SHANGHAI INC (CN) 2009-11-04 CN claimed
CN-101571506-B Formaldehyde sensor RAE SYSTEMS (SHANGHAI) INC. (CN) 2016-02-24 CN disclosed
CN-101571506-A Formaldehyde sensor RAE SYSTEMS SHANGHAI INC (CN) 2009-11-04 CN disclosed
CN-1987424-A Method for detecting oil carbonyl value TIANJIN UNIV OF SCIENCE AND TE (CN) 2007-06-27 CN disclosed
US-5324648-A Anticoagulants; antitumor agents GEORGIA TECH RESEARCH CORPORATION (US) 1994-06-28 US disclosed