SCHEMBL2572021

SCHEMBL2572021

CCOC(=O)Oc1nc([N+](=O)[O-])c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.42
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.34
GALR2 O43603 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
CCR6 P51684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GSK3B P49841 1/20 0.34
ADORA3 P0DMS8 2/20 0.33

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
SCHEMBL1595448 0.77 MITF (0.44) MITFALDH1A1MAPTGALR2LMNA
SCHEMBL29030020 0.73 TXNRD1 (0.35) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
Propionic Acid SCHEMBL8040155 0.71 ALDH1A1 (0.39) MITFALDH1A1MAPTPOLBHTT
SCHEMBL5261281 0.70 ALOX5 (0.46) ALDH1A1MAPTLMNAHPGDCCR6
SCHEMBL4062335 0.70 MITF (0.50) MITFALDH1A1MAPTLMNAPOLB
SCHEMBL6180951 0.70 NPC1 (0.43) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL4062160 0.69 ALDH1A1 (0.56) MITFALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL7372106 0.69 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL5511534 0.68 ALDH1A1 (0.40) MITFALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10420574 0.68 MITF (0.35) MITFALDH1A1MAPTLMNASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755964-B1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS ANTI INFECTIVE CURES GMBH (DE) 2016-06-22 EP disclosed
EP-2755964-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AiCuris GmbH & Co. KG (DE) 2014-07-23 EP disclosed
WO-2013037812-A1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2013-03-21 WO disclosed
EP-1732901-B1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND AICURIS GMBH & CO KG (DE) 2011-11-02 EP disclosed
EP-1853582-B1 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO KG (DE) 2009-10-21 EP disclosed
EP-1853582-A2 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AiCuris GmbH & Co. KG (DE) 2007-11-14 EP disclosed
EP-1732901-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND Bayer HealthCare AG (DE) 2006-12-20 EP disclosed
WO-2006089664-A2 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2006-08-31 WO disclosed
WO-2005092865-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND BAYER HEALTHCARE AG (DE) 2005-10-06 WO disclosed