SCHEMBL11053862

SCHEMBL11053862

CC(C)(C)NC(=O)NC(=N)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.48
▸ MAPT P10636 8/20 0.48
▸ HTT P42858 8/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ LMNA P02545 5/20 0.48
▸ GAA P10253 2/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ RORC P51449 1/20 0.43
▸ TBXA2R P21731 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL11050707 0.87 KMT2A (0.52) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL11254196 0.85 MAPT (0.55) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL11054990 0.84 TBXA2R (0.47) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL11054953 0.84 TBXA2R (0.44) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL11052090 0.84 MAPT (0.54) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL11052550 0.84 GAA (0.51) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL11580082 0.83 ALDH1A1 (0.51) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL11819842 0.83 ALDH1A1 (0.51) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL11050805 0.83 IDH2 (0.39) MAPTHTTTP53TBXA2RSMN1; SMN2
SCHEMBL11579313 0.82 MAPT (0.44) ALDH1A1MAPTHTTKMT2AMEN1

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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