SCHEMBL300130

SCHEMBL300130

COc1cnc2[nH]cc(-c3c(CO)cccc3[N+](=O)[O-])c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
NTRK1 P04629 3/20 0.41
DYRK1A Q13627 4/20 0.41
DYRK3 O43781 2/20 0.41
ROCK2 O75116 2/20 0.41
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
CDK1 P06493 2/20 0.41
MARK3 P27448 2/20 0.41
AXL P30530 2/20 0.41
FLT4 P35916 2/20 0.41
FLT3 P36888 2/20 0.41
SYK P43405 2/20 0.41
CSNK1D P48730 2/20 0.41
CLK2 P49760 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
BLK P51451 2/20 0.41
IRAK1 P51617 2/20 0.41

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
SCHEMBL300407 0.83 NTRK1 (0.40) MTNR1AMTNR1BNTRK1DYRK1ADYRK3
SCHEMBL300124 0.69 AXL (0.39) DYRK1AAXLGSK3BCDK5KIT
SCHEMBL300129 0.68 MAOB (0.49)
SCHEMBL8134967 0.68 MTNR1A (0.61) MTNR1AMTNR1BFGFR1CSF1R
SCHEMBL1716453 0.68 POLB (0.53) MTNR1AMTNR1B
SCHEMBL298453 0.67 AAK1 (0.49) MTNR1AMTNR1BAXLIRAK4NEK1
SCHEMBL297243 0.67 SRC (0.40) MTNR1AMTNR1BRIPK1
SCHEMBL28892205 0.65 MEN1 (0.42) MTNR1AMTNR1B
SCHEMBL5201436 0.65 ALDH1A1 (0.47)
SCHEMBL31347487 0.65 ALDH1A1 (0.47)

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-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed