SCHEMBL10857031

SCHEMBL10857031

O=C(O)C=Cc1ccco1.[N-]=[N+]=N

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.80
MASP2 O00187 1/20 0.63
F2 P00734 1/20 0.63
MAPT P10636 9/20 0.50
POLB P06746 9/20 0.50
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
L3MBTL1 Q9Y468 7/20 0.48
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 7/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RECQL P46063 3/20 0.47

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
SCHEMBL2561722 0.89 HCAR2 (1.00) HCAR2MASP2F2MAPTPOLB
SCHEMBL125125 0.89 HCAR2 (1.00) HCAR2MASP2F2MAPTPOLB
SCHEMBL125126 0.89 HCAR2 (1.00) HCAR2MASP2F2MAPTPOLB
Hydrochloric Acid SCHEMBL6744115 0.88 HCAR2 (0.96) HCAR2MASP2F2MAPTPOLB
SCHEMBL11433821 0.78 HCAR2 (0.71) HCAR2MASP2F2MAPTPOLB
SCHEMBL11433823 0.78 HCAR2 (0.71) HCAR2MASP2F2MAPTPOLB
SCHEMBL9222011 0.78 HCAR2 (0.75) HCAR2MASP2F2MAPTPOLB
SCHEMBL9222017 0.78 HCAR2 (0.75) HCAR2MASP2F2MAPTPOLB
SCHEMBL560440 0.77 MASP2 (1.00) HCAR2MASP2F2MAPTPOLB
SCHEMBL560439 0.77 MASP2 (1.00) HCAR2MASP2F2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4577014-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1986-03-18 US disclosed
US-4501739-A BACTERICIDES, ANTIBIOTICS ELI LILLY AND COMPANY (US) 1985-02-26 US disclosed
US-4406898-A ANTIBIOTICS CONTAINING A THIENOPYRIDINIUM OR FUROPYRIDINIUM GROUP ELI LILLY AND COMPANY (US) 1983-09-27 US disclosed
EP-0074268-A2 Improvements in or relating to thieno and furopyridinium-substituted cephalosporin derivatives ELI LILLY AND COMPANY (US) 1983-03-16 EP disclosed
US-4071630-A ANGINA PECTORIS SANDOZ LTD. (CH) 1978-01-31 US disclosed