SCHEMBL11049847

SCHEMBL11049847

COc1cc([N+](=O)[O-])ccc1NC(=N)NC(=O)NC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ LMNA P02545 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ EPHX1 P07099 2/20 0.57
▸ ALDH1A1 P00352 6/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ GAA P10253 2/20 0.54
▸ GLA P06280 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ KCNMA1 Q12791 1/20 0.52
▸ MAPT P10636 1/20 0.51

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
SCHEMBL11254196 0.85 MAPT (0.55) HTTLMNAPOLBL3MBTL1ALDH1A1
SCHEMBL11050707 0.85 KMT2A (0.52) HTTLMNAPOLBL3MBTL1ALDH1A1
SCHEMBL11054953 0.84 TBXA2R (0.44) PKMHTTLMNAPOLBL3MBTL1
SCHEMBL11052090 0.84 MAPT (0.54) PKMHTTLMNAALDH1A1KMT2A
SCHEMBL11052550 0.84 GAA (0.51) PKMLMNAALDH1A1KMT2AMEN1
SCHEMBL11054990 0.84 TBXA2R (0.47) HTTLMNAPOLBL3MBTL1ALDH1A1
SCHEMBL11093549 0.83 PKM (0.66) PKMHTTLMNAEPHX1ALDH1A1
SCHEMBL11053862 0.82 ALDH1A1 (0.48) PKMHTTLMNAPOLBL3MBTL1
SCHEMBL11053343 0.81 MEN1 (0.60) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL11051596 0.78 KMT2A (0.55) HTTLMNAPOLBALDH1A1KMT2A

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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