SCHEMBL11050707

SCHEMBL11050707

CC(C)(C)NC(=O)NC(=N)Nc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.52
▸ MAPT P10636 7/20 0.52
▸ MEN1 O00255 7/20 0.52
▸ HTT P42858 6/20 0.52
▸ LMNA P02545 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TBXA2R P21731 3/20 0.45
▸ TRPV1 Q8NER1 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 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 0.88 MAPT (0.55) KMT2AMAPTMEN1HTTLMNA
SCHEMBL11053862 0.87 ALDH1A1 (0.48) KMT2AMAPTMEN1HTTLMNA
SCHEMBL11054990 0.87 TBXA2R (0.47) KMT2AMAPTMEN1HTTLMNA
SCHEMBL11052550 0.87 GAA (0.51) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL11052090 0.87 MAPT (0.54) KMT2AMAPTMEN1HTTLMNA
SCHEMBL11054953 0.87 TBXA2R (0.44) KMT2AMAPTMEN1HTTLMNA
SCHEMBL11049847 0.85 PKM (0.60) KMT2AMAPTMEN1HTTLMNA
SCHEMBL11579516 0.82 MAPT (0.50) KMT2AMAPTMEN1HTTLMNA
SCHEMBL11054561 0.82 HTT (0.50) MAPTHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL11057187 0.81 KCNMA1 (0.50) KMT2AMAPTMEN1HTTLMNA

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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