SCHEMBL9611641

SCHEMBL9611641

C=C(NC(=O)c1cc2ccccc2cn1)Nc1c(C(=O)Nc2ncc[nH]2)cc(OCC)c(F)c1N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.36
PTGES O14684 10/20 0.35
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
FGFR3 P22607 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
SCHEMBL1201779 0.79 POLB (0.38) HPGDSPTGESLMNAMEN1KMT2A
SCHEMBL8259922 0.77 HPGDS (0.40) HPGDSKMT2APOLBSMN1; SMN2HDAC3
SCHEMBL1201671 0.70 HPGDS (0.42) HPGDSPTGESLMNAMEN1KMT2A
SCHEMBL4241471 0.69 PTGES (0.41) HPGDSPTGESLMNAMEN1KMT2A
SCHEMBL9611625 0.68 RAB9A (0.34) HPGDSPTGESMEN1KMT2AHTT
SCHEMBL1202444 0.68 GAA (0.40) LMNAMEN1KMT2APOLBHTT
SCHEMBL1201611 0.68 HPGDS (0.37) HPGDSPTGESLMNAMEN1KMT2A
SCHEMBL4241467 0.68 PTGES (0.39) HPGDSPTGESLMNAMEN1KMT2A
SCHEMBL1201781 0.67 MEN1 (0.39) LMNAMEN1KMT2APOLBHTT
SCHEMBL1202299 0.66 HPGDS (0.41) HPGDSPTGESLMNAMEN1KMT2A

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-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed