SCHEMBL4120932

SCHEMBL4120932

CC(O)C(c1cccnc1)c1cccnn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
CYP17A1 P05093 1/20 0.39
TSHR P16473 1/20 0.39
KCNA5 P22460 3/20 0.38
KCND3 Q9UK17 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 2/20 0.36
CYP19A1 P11511 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
SCHEMBL27176406 0.81 KCNA5 (0.54) SMN1; SMN2GAALMNAL3MBTL1SLC6A2
SCHEMBL27176402 0.78 SMN1; SMN2 (0.61) SMN1; SMN2GAALMNAL3MBTL1SLC6A2
SCHEMBL30326956 0.78 SMN1; SMN2 (0.61) SMN1; SMN2GAALMNAL3MBTL1SLC6A2
SCHEMBL5386880 0.76 SMN1; SMN2 (0.53) SMN1; SMN2GAALMNAL3MBTL1SLC6A2
SCHEMBL2423599 0.72 SMN1; SMN2 (0.57) SMN1; SMN2GAALMNAL3MBTL1SLC6A2
SCHEMBL28748 0.72
SCHEMBL10442614 0.72 CFTR (0.54) SMN1; SMN2GAALMNAL3MBTL1SLC6A2
SCHEMBL177932 0.72
SCHEMBL4098469 0.72
SCHEMBL31080226 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064204-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) Merck & Co., Inc. (US) 2009-06-03 EP claimed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 WO claimed