SCHEMBL10905604

SCHEMBL10905604

CCNC(=O)N(C(=N)N)c1c(C)cc(OC(F)(F)F)cc1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
PTGS1 P23219 6/20 0.33
PTGS2 P35354 6/20 0.33
EPHX1 P07099 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
DDR1 Q08345 2/20 0.31
MCHR1 Q99705 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL10907963 0.86 SLC6A2 (0.36) LMNASLC6A2SLC6A4POLBPTGS1
SCHEMBL10905946 0.85 HPGD (0.33) HPGDHDAC1
SCHEMBL10905771 0.84 GRIN2D (0.38) LMNAPOLBHPGDPTGS1PTGS2
SCHEMBL10906944 0.84 ABL1 (0.33) LMNASLC6A2SLC6A4ABL1
SCHEMBL10907876 0.83 HPGD (0.42) HPGD
SCHEMBL10907002 0.82 SCN9A (0.31) SLC6A2SLC6A4ABL1
SCHEMBL10905924 0.82 HPGD (0.35) LMNAHPGD
SCHEMBL10907691 0.81 SLC6A2 (0.33) LMNASLC6A2SLC6A4POLBABL1
SCHEMBL10905456 0.81 HPGD (0.40) LMNAHPGD
SCHEMBL10906936 0.78 SLC6A4 (0.38) SLC6A2SLC6A4POLBPTGS1PTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4564640-A Amidinoureas substituted in both the urea and amidino nitrogen positions WILLIAM H. RORER, INC. (US) 1986-01-14 US disclosed