SCHEMBL11054953

SCHEMBL11054953

CC(C)(C)NC(=O)NC(=N)Nc1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 9/20 0.44
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 6/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PKM P14618 1/20 0.39

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) TBXA2RKMT2AMEN1LMNAL3MBTL1
SCHEMBL11050707 0.87 KMT2A (0.52) TBXA2RKMT2AMEN1LMNAL3MBTL1
SCHEMBL11052550 0.86 GAA (0.51) TBXA2RKMT2AMEN1LMNAALDH1A1
SCHEMBL11054990 0.86 TBXA2R (0.47) TBXA2RKMT2AMEN1LMNAL3MBTL1
SCHEMBL11052090 0.86 MAPT (0.54) TBXA2RKMT2AMEN1LMNAHTT
SCHEMBL11049847 0.84 PKM (0.60) KMT2AMEN1LMNAL3MBTL1POLB
SCHEMBL11053862 0.84 ALDH1A1 (0.48) TBXA2RKMT2AMEN1LMNAL3MBTL1
SCHEMBL11056102 0.82 HTT (0.36) TBXA2RKMT2AMEN1LMNAPOLB
SCHEMBL11053772 0.81 HTT (0.38) TBXA2RKMT2AMEN1POLBHTT
SCHEMBL11580880 0.81 F10 (0.43) KMT2AMEN1LMNAHTTALDH1A1

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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