SCHEMBL14369201

SCHEMBL14369201

CCC(CC)CCn1cc(C#N)n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)/c1=N\Br

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.39
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL14369056 0.93 F2R (0.37) F2RALOX5PTGS1PTGS2MEN1
SCHEMBL14346328 0.86 F2R (0.48) F2RALOX5PTGS1PTGS2MEN1
SCHEMBL14369541 0.85 F2R (0.40) F2RALOX5PTGS1PTGS2MEN1
Bromide SCHEMBL4340529 0.85 F2R (0.47) F2RALOX5PTGS1PTGS2MEN1
SCHEMBL6366194 0.82 F2R (0.45) F2RALOX5PTGS1PTGS2MEN1
Bromide SCHEMBL4337550 0.81 F2R (0.45) F2RALOX5PTGS1PTGS2MEN1
SCHEMBL14369129 0.81 F2R (0.39) F2RALOX5PTGS1PTGS2MEN1
SCHEMBL14369058 0.81 F2R (0.45) F2RMEN1KMT2A
SCHEMBL14369137 0.81 F2R (0.53) F2RMEN1KMT2A
SCHEMBL14368582 0.80 F2R (0.38) F2RALOX5PTGS1PTGS2MEN1

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-7304083-B2 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-04 US disclosed