SCHEMBL9068677

SCHEMBL9068677

COC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.51
POLB P06746 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 3/20 0.48
PKM P14618 2/20 0.48
NPC1 O15118 2/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
HSP90AA1 P07900 1/20 0.48
PAX8 Q06710 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
PTPRC P08575 1/20 0.46
S100A4 P26447 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL2393713 0.89 ALDH1A1 (0.50) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL15229768 0.88 MYC (0.55) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL1403472 0.88 ALDH1A1 (0.56) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL30203403 0.88 ALDH1A1 (0.56) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL12114840 0.87 RORC (0.54) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL6804809 0.87 CYP46A1 (0.55) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1316996 0.86 KDM4E (0.55) ALDH1A1MAPTLMNAMEN1KMT2A
Methane SCHEMBL27588822 0.86 ALDH1A1 (0.54) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL1989351 0.85 SLC6A3 (0.56) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL5131835 0.85 SLC6A3 (0.57) ALDH1A1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491200-A FORMING GRAFT OR BLOCK COPOLYMER FROM POLYIMIDE ENDCAPPED WITH ACYL-ACTIVATED CAPROLACTAM RING AND MOLTEN CAPROLACTAM; FIBER BLENDS WITH NYLON-6; HEAT, CHEMICAL RESISTANT EDISON POLYMER INNOVATION CORPORATION (US) 1996-02-13 US disclosed