SCHEMBL11056791

SCHEMBL11056791

CC(C)(C)NC(=O)NC(=N)Nc1cc(Cl)cc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HTT P42858 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ HSPA5 P11021 1/20 0.37
▸ APEX1 P27695 1/20 0.36
▸ ALPL P05186 1/20 0.34
▸ CACNA1H O95180 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PDK1 Q15118 2/20 0.33
▸ PDK2 Q15119 2/20 0.33

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
SCHEMBL11254460 0.88 HTT (0.44) MAPK1KMT2AMEN1HTTKDM4E
SCHEMBL11049975 0.84 HTT (0.48) MAPK1KMT2AMEN1HTTKDM4E
SCHEMBL11053981 0.83 PDK1 (0.50) MAPK1KMT2AMEN1HTTKDM4E
SCHEMBL11262102 0.83 MAPK1 (0.43) MAPK1KMT2AMEN1HTTKDM4E
SCHEMBL11052114 0.83 PDK1 (0.50) MAPK1KMT2AMEN1HTTKDM4E
SCHEMBL11050943 0.81 HTT (0.44) MAPK1KMT2AMEN1HTTKDM4E
SCHEMBL11050431 0.81 HTT (0.51) MAPK1KMT2AMEN1HTTKDM4E
SCHEMBL11052077 0.81 MEN1 (0.74) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL11053847 0.80 HTT (0.49) MAPK1KMT2AMEN1HTTALDH1A1
SCHEMBL11051610 0.80 HTT (0.53) MAPK1KMT2AMEN1HTTKDM4E

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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