SCHEMBL11052077

SCHEMBL11052077

CC(C)(C)NC(=O)NC(=N)Nc1cccc(Cl)c1Cl

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.74
▸ KMT2A Q03164 7/20 0.74
▸ MAPK1 P28482 2/20 0.74
▸ PDK1 Q15118 1/20 0.50
▸ PDK2 Q15119 1/20 0.50
▸ PDK3 Q15120 1/20 0.50
▸ PDK4 Q16654 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ MAPK14 Q16539 8/20 0.48
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL11052475 0.89 POLB (0.61) MEN1KMT2AMAPK1PDK1PDK2
SCHEMBL11265410 0.88 KMT2A (0.56) MEN1KMT2AMAPK1POLBMAPT
SCHEMBL11059010 0.87 MEN1 (0.55) MEN1KMT2AMAPK1PDK1PDK2
SCHEMBL11052110 0.86 MEN1 (0.55) MEN1KMT2AMAPK1PDK1PDK2
SCHEMBL11050083 0.86 MAPK1 (0.55) MEN1KMT2AMAPK1PDK1PDK2
SCHEMBL11053827 0.84 MAPK1 (0.54) MEN1KMT2AMAPK1PDK1PDK2
SCHEMBL11260929 0.83 KMT2A (0.50) MEN1KMT2AMAPK1POLBMAPT
SCHEMBL11056791 0.81 MAPK1 (0.47) MEN1KMT2AMAPK1PDK1PDK2
SCHEMBL11050902 0.80 MAPK1 (0.49) MEN1KMT2AMAPK1POLBLMNA
SCHEMBL11052870 0.80 PDK1 (0.51) MEN1KMT2AMAPK1PDK1PDK2

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 4 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
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 — — US disclosed
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