SCHEMBL2570796

SCHEMBL2570796

CCOC(=O)Oc1nc([N+](=O)[O-])cn1CC1CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.38
JAK1 P23458 6/20 0.38
JAK2 O60674 3/20 0.38
TYK2 P29597 3/20 0.38
KMT2A Q03164 2/20 0.37
AR P10275 1/20 0.35
OPRD1 P41143 1/20 0.35
JAK3 P52333 2/20 0.35
SOS1 Q07889 1/20 0.34
MAPT P10636 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL4062160 0.85 ALDH1A1 (0.56) MITFALDH1A1PKMKMT2ASOS1
SCHEMBL2567237 0.82 LMNA (0.39) JAK1JAK2TYK2OPRD1JAK3
SCHEMBL1594872 0.81 MITF (0.51) MITFALDH1A1PKMJAK1JAK2
SCHEMBL4062335 0.79 MITF (0.50) MITFALDH1A1PKMKMT2AAR
SCHEMBL23389306 0.76 ALDH1A1 (0.64) MITFALDH1A1PKMKMT2ASOS1
SCHEMBL27708092 0.72 ALDH1A1 (0.41) MITFALDH1A1PKMKMT2ASOS1
SCHEMBL23389491 0.71 ALDH1A1 (0.60) MITFALDH1A1PKMKMT2ASOS1
SCHEMBL1844219 0.68 AR (0.46) MITFALDH1A1ARMAPT
SCHEMBL14786459 0.67 POLB (0.46) ALDH1A1MAPT
SCHEMBL1594228 0.67 ALDH1A1 (0.59) MITFALDH1A1PKMKMT2ASOS1

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 7 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-1732901-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND Bayer HealthCare AG (DE) 2006-12-20 EP disclosed
WO-2005092865-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND BAYER HEALTHCARE AG (DE) 2005-10-06 WO disclosed