SCHEMBL7093968

SCHEMBL7093968

COc1ccc(-c2cc(NC(=O)C3CC(=O)c4c(oc5ccccc45)C3)n[nH]2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.66
FLT3 P36888 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
STK17B O94768 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL6999783 0.85 NPY5R (0.64) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL6996005 0.80 NPY5R (1.00) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL6992797 0.78 NPY5R (0.86) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL6996863 0.77 NPY5R (1.00) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL6996063 0.75 NPY5R (0.87) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL6999159 0.73 NPY5R (0.65) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL6988738 0.72 NPY5R (0.76) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL6992731 0.72 NPY5R (0.64) NPY5RFLT3NTRK3NTRK2MEN1
SCHEMBL6994290 0.71 NPY5R (0.63) NPY5RFLT3NTRK3NTRK2STK17B
SCHEMBL7001040 0.71 NPY5R (0.80) NPY5RFLT3NTRK3NTRK2MEN1

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-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP claimed