SCHEMBL7547260

SCHEMBL7547260

CC(C)Nc1nc(C(N)C2CCC(N(C)S(=O)(=O)N3CCOCC3)CC2)nc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
AXL P30530 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
TSHR P16473 1/20 0.32
PIK3R1 P27986 6/20 0.32
PIK3CA P42336 6/20 0.32
PIK3CD O00329 4/20 0.32
KDM4E B2RXH2 2/20 0.32
PIK3CB P42338 2/20 0.31

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
SCHEMBL1593533 0.81 MAPK1 (0.42) MAPK1KMT2AMEN1LMNAALDH1A1
SCHEMBL7547268 0.78 MAPK1 (0.39) MAPK1KMT2AMEN1LMNAALDH1A1
SCHEMBL1594422 0.71 NPY5R (0.44) KMT2AMEN1ALDH1A1HPGD
SCHEMBL7498739 0.70 ALDH1A1 (0.33) KMT2AALDH1A1CA1CA2CA9
SCHEMBL1593535 0.65 MAPK1 (0.47) MAPK1KMT2AMEN1LMNAALDH1A1
SCHEMBL7503785 0.61 L3MBTL1 (0.36) KMT2AMEN1LMNACA1CA2
SCHEMBL11564141 0.57 MAPK1 (0.54) MAPK1KMT2AMEN1LMNAALDH1A1
SCHEMBL16131109 0.56 TSHR (0.57) MAPK1KMT2AMEN1LMNAALDH1A1
SCHEMBL31086535 0.56 LMNA (0.62) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL31086505 0.56 LMNA (0.62) KMT2AMEN1LMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183245-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-10-02 EP disclosed
EP-1183245-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-03-06 EP disclosed
WO-2000064880-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-11-02 WO disclosed