SCHEMBL1304458

SCHEMBL1304458

CN(C)/N=N/c1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.73
▸ MEN1 O00255 7/20 0.73
▸ KMT2A Q03164 7/20 0.73
▸ MAPT P10636 6/20 0.73
▸ MAPK1 P28482 2/20 0.73
▸ NPC1 O15118 3/20 0.71
▸ RAB9A P51151 3/20 0.71
▸ CASP3 P42574 1/20 0.71
▸ SENP8 Q96LD8 1/20 0.71
▸ SENP7 Q9BQF6 1/20 0.71
▸ SENP6 Q9GZR1 1/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.63
▸ POLB P06746 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.56
▸ TSHR P16473 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ACHE P22303 1/20 0.49
▸ CCNT1 O60563 1/20 0.48
▸ CCNE2 O96020 1/20 0.48
▸ CDK4 P11802 1/20 0.48

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
SCHEMBL1304459 1.00 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL1405486 0.84 TSHR (0.67) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL1405487 0.84 TSHR (0.67) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL14497046 0.80 NPC1 (0.62) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL2681707 0.80 KMT2A (0.63) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL4955530 0.80 KMT2A (0.63) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL1405403 0.79 NPC1 (0.65) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL1405402 0.79 NPC1 (0.65) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL27405564 0.79 MEN1 (0.66) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL14514775 0.78 MEN1 (0.57) ALDH1A1MEN1KMT2AMAPTMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006670-B1 METHOD OF ESTERIFYING BIO-RELATED MOLECULE FOR MASS SPECTROMETRY AND METHOD OF MASS SPECTROMETRY OF OBTAINED ESTERIFIED DERIVATIVE UNIV HOKKAIDO NAT UNIV CORP (JP) 2015-01-28 — — EP disclosed
US-8053246-B2 Method of esterifying bio-related molecule for mass spectrometry and method of mass spectrometry of obtained esterified derivative NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-08 — — US disclosed
US-20090311793-A1 Method of Esterifying Bio-Related Molecule for Mass Spectrometry and Method of Mass Spectrometry of Obtained Esterified Derivative NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-12-17 — — US disclosed
EP-2006670-A9 METHOD OF ESTERIFYING BIO-RELATED MOLECULE FOR MASS SPECTROMETRY AND METHOD OF MASS SPECTROMETRY OF OBTAINED ESTERIFIED DERIVATIVE National University Corporation Hokkaido University (JP) 2009-07-15 — — EP disclosed
EP-2006670-A2 METHOD OF ESTERIFYING BIO-RELATED MOLECULE FOR MASS SPECTROMETRY AND METHOD OF MASS SPECTROMETRY OF OBTAINED ESTERIFIED DERIVATIVE National University Corporation Hokkaido University (JP) 2008-12-24 — — EP disclosed
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