SCHEMBL11054066

SCHEMBL11054066

Cc1cc([N+](=O)[O-])cc(C)c1NC(=N)NC(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 6/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ HTT P42858 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LCK P06239 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36

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 0.84 MAPT (0.55) TBXA2RALDH1A1MAPTMAPK1TDP1
SCHEMBL11049566 0.82 LCK (0.40) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL11048657 0.81 HTT (0.47) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL11052848 0.81 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL11095796 0.81 ALDH1A1 (0.41) ALDH1A1GPR35MAPTMAPK1TDP1
SCHEMBL11049998 0.80 MAPT (0.39) ALDH1A1GPR35MAPTL3MBTL1MEN1
SCHEMBL11581851 0.80 KCNMA1 (0.51) TBXA2RALDH1A1MAPTMAPK1TDP1
SCHEMBL11051596 0.78 KMT2A (0.55) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL11052129 0.77 POLB (0.46) ALDH1A1MAPTMAPK1L3MBTL1MEN1
SCHEMBL11050873 0.77 KMT2A (0.59) ALDH1A1MAPTMAPK1MEN1KMT2A

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 2 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
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