SCHEMBL5807014

SCHEMBL5807014

[N]=Cc1ccc([N+](=O)[O-])o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
TDP1 Q9NUW8 7/20 0.63
MEN1 O00255 6/20 0.63
MAPT P10636 6/20 0.63
L3MBTL1 Q9Y468 5/20 0.63
LMNA P02545 5/20 0.63
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
NPC1 O15118 1/20 0.63
MITF O75030 1/20 0.63
XBP1 P17861 1/20 0.63
RAB9A P51151 1/20 0.63
POLB P06746 7/20 0.61
GLO1 Q04760 1/20 0.54
CASP6 P55212 2/20 0.51
HTT P42858 3/20 0.51
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 2/20 0.49

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
SCHEMBL183545 0.81 KMT2A (0.66) KMT2ATDP1MEN1MAPTL3MBTL1
Ammonia Solution, Strong SCHEMBL27671164 0.79 KMT2A (0.63) KMT2ATDP1MEN1MAPTL3MBTL1
SCHEMBL258450 0.79 KMT2A (0.63) KMT2ATDP1MEN1MAPTL3MBTL1
SCHEMBL5807015 0.79 TDP1 (0.63) KMT2ATDP1MEN1MAPTL3MBTL1
SCHEMBL258449 0.79 TDP1 (0.63) KMT2ATDP1MEN1MAPTL3MBTL1
SCHEMBL17988274 0.77 KMT2A (0.78) KMT2ATDP1MEN1MAPTL3MBTL1
SCHEMBL2681858 0.77 KMT2A (0.78) KMT2ATDP1MEN1MAPTL3MBTL1
SCHEMBL15200988 0.77 LMNA (0.58) KMT2ATDP1MEN1MAPTL3MBTL1
Nifuroxime SCHEMBL5025023 0.76 LMNA (0.76) KMT2ATDP1MEN1MAPTL3MBTL1
SCHEMBL15978028 0.76 KMT2A (0.62) KMT2ATDP1MEN1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed
US-4698352-A 4-oxo-1,4-dihydronicotinic acid derivatives, salts thereof, and antibacterial agents containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1987-10-06 US disclosed
US-4196291-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-04-01 US disclosed
US-4141978-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-02-27 US disclosed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 US disclosed
US-4001411-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-01-04 US disclosed