SCHEMBL9018732

SCHEMBL9018732

NC(N)=NC(=O)c1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 2/20 0.40
PIM1 P11309 1/20 0.40
ABL1 P00519 1/20 0.39
PLAU P00749 1/20 0.38
BRAF P15056 1/20 0.38
SLC9A1 P19634 2/20 0.37
GRIN2B Q13224 1/20 0.37
EPHX2 P34913 1/20 0.37
CHEK1 O14757 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
IGF2BP2 Q9Y6M1 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
SCHEMBL8610216 0.92 MRGPRX4 (0.39) FFAR4FFAR1PIM1ABL1BRAF
SCHEMBL9018666 0.88 PIM1 (0.40) FFAR4FFAR1PIM1PLAUSLC9A1
SCHEMBL9018694 0.84 SLC9A1 (0.44) SLC9A1
SCHEMBL30468358 0.83 CHEK1 (0.47) FFAR4FFAR1PIM1ABL1BRAF
SCHEMBL13407882 0.83 CHEK1 (0.47) FFAR4FFAR1PIM1ABL1BRAF
SCHEMBL9018679 0.82 NOS3 (0.40) PIM1SLC9A1GRIN2BKDM4EGAA
SCHEMBL9018672 0.82 PIM1 (0.37) PIM1PLAUSLC9A1
SCHEMBL8611570 0.81 CFTR (0.40) PIM1ABL1EPHX2CHEK1KDM4E
SCHEMBL9018686 0.81 SLC9A1 (0.43) SLC9A1
SCHEMBL9018718 0.80 SLC9A1 (0.41) PIM1SLC9A1KMT2A

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
EP-0743301-A2 Benzoylguanidines containing fluorine MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed