SCHEMBL11050873

SCHEMBL11050873

CC(C)(C)NC(=O)NC(=N)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.59
▸ MEN1 O00255 9/20 0.59
▸ MAPT P10636 7/20 0.59
▸ HTT P42858 5/20 0.59
▸ POLB P06746 4/20 0.59
▸ DDX3X O00571 2/20 0.59
▸ CTDSP1 Q9GZU7 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ ALDH1A1 P00352 4/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ BLM P54132 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ BAZ1A Q9NRL2 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ TRPV1 Q8NER1 1/20 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
SCHEMBL11051596 0.84 KMT2A (0.55) KMT2AMEN1MAPTHTTPOLB
SCHEMBL6725074 0.81 KMT2A (0.72) KMT2AMEN1MAPTHTTPOLB
SCHEMBL11582992 0.80 POLB (0.63) KMT2AMEN1MAPTHTTPOLB
SCHEMBL11050011 0.80 MEN1 (0.50) KMT2AMEN1MAPTHTTPOLB
SCHEMBL11264267 0.80 HTT (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11249084 0.80 MEN1 (0.57) KMT2AMEN1MAPTHTTPOLB
SCHEMBL11053687 0.79 MEN1 (0.55) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11060416 0.79 GAA (0.49) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL11253325 0.79 MAPT (0.43) KMT2AMEN1MAPTHTTPOLB
SCHEMBL11261263 0.79 MEN1 (0.43) KMT2AMEN1MAPTHTTPOLB

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
US-4488993-A Amidinoureas WILLIAM H. RORER, INC. 1984-12-18 — — US disclosed
US-4220658-A Treatment of hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-02 — — US disclosed
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 — — US disclosed
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