SCHEMBL5484191

SCHEMBL5484191

Cc1cc([N+](=O)[O-])cc(C)c1-c1ccoc1-c1c(C)cc([N+](=O)[O-])cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP3A4 P08684 2/20 0.42
NQO1 P15559 1/20 0.40
POR P16435 1/20 0.40
GPR35 Q9HC97 1/20 0.40
MAPT P10636 3/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 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
SCHEMBL21568521 0.79 TDP1 (0.41) ALDH1A1KMT2AMEN1POLBHSP90AA1
SCHEMBL6751572 0.72 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL3363853 0.70 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL1063743 0.70 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1POLBHSP90AA1
SCHEMBL13118928 0.67 TSHR (0.50) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL2105183 0.66 TSHR (0.61) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL17119010 0.66 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1HSP90AA1L3MBTL1
SCHEMBL30683694 0.65 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1TSHRTDP1
SCHEMBL8440730 0.64 TSHR (0.58) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL6378439 0.64 TSHR (0.58) ALDH1A1KMT2AMEN1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664158-B1 MICROGELS IN CROSS-LINKABLE, ORGANIC MEDIA ARLANXEO DEUTSCHLAND GMBH (DE) 2019-05-01 EP disclosed
EP-1399163-B1 COMPOUNDS, METHODS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF BOVINE VIRAL DIARRHEA VIRUS (BVDV) INFECTION AND HEPATITIS C VIRUS (HCV) INFECTION UNIV NORTH CAROLINA (US) 2007-10-10 EP disclosed
US-20070232733-A1 organic, crosslinkable medium and at least one microgel which is not crosslinked by high-energy radiation, processes for its preparation, uses of the compositions, microgel-containing polymers prepared therefrom and shaped articles or coatings produced therefrom. LANXESS DEUTSCHLAND GMBH (DE) 2007-10-04 US disclosed