SCHEMBL11054990

SCHEMBL11054990

CCc1cc([N+](=O)[O-])ccc1NC(=N)NC(=O)NC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 9/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ GAA P10253 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RORC P51449 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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 0.87 MAPT (0.55) TBXA2RALDH1A1L3MBTL1HTTLMNA
SCHEMBL11050707 0.87 KMT2A (0.52) TBXA2RALDH1A1GAAL3MBTL1HTT
SCHEMBL11054953 0.86 TBXA2R (0.44) TBXA2RALDH1A1GAAL3MBTL1HTT
SCHEMBL11052550 0.86 GAA (0.51) TBXA2RALDH1A1GAALMNAMEN1
SCHEMBL11052090 0.86 MAPT (0.54) TBXA2RALDH1A1HTTLMNAMEN1
SCHEMBL11049847 0.84 PKM (0.60) ALDH1A1GAAL3MBTL1HTTLMNA
SCHEMBL11053862 0.84 ALDH1A1 (0.48) TBXA2RALDH1A1GAAL3MBTL1HTT
SCHEMBL11252215 0.83 RORC (0.46) ALDH1A1HTTPOLBKMT2ARORC
SCHEMBL11052097 0.82 PDK1 (0.39) ALDH1A1HTTLMNAMAPT
SCHEMBL11250897 0.81 PKM (0.48) TBXA2RHTTMEN1KMT2AMAPT

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-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 — — US disclosed
US-4220658-A Treatment of hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-02 — — US disclosed
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