SCHEMBL11054677

SCHEMBL11054677

Cc1cccc(F)c1NC(=N)NC(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
LCK P06239 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
PLA2G7 Q13093 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
TBXA2R P21731 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
SCHEMBL11050055 0.91 KMT2A (0.45) LMNAHTTKMT2AMEN1MAPK1
SCHEMBL11052129 0.91 POLB (0.46) LMNATSHRPOLBHTTLCK
SCHEMBL11580953 0.85 RIPK1 (0.40) LMNATSHRPOLBLCKDRD2
SCHEMBL11052138 0.85 KMT2A (0.40) LMNAHTTKMT2AMEN1MAPK1
SCHEMBL11049616 0.85 HTT (0.50) LMNAPOLBHTTKMT2AMEN1
SCHEMBL11578638 0.85 KMT2A (0.40) LMNATSHRPOLBLCKDRD2
SCHEMBL11052870 0.85 PDK1 (0.51) LMNATSHRPOLBHTTLCK
SCHEMBL11252413 0.84 POLB (0.51) LMNATSHRPOLBHTTKMT2A
SCHEMBL11579645 0.84 PTGS2 (0.41) LMNAPOLBHTTKMT2AMEN1
SCHEMBL11251439 0.83 HTT (0.42) LMNATSHRHTTLCKKMT2A

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