SCHEMBL300129

SCHEMBL300129

COc1cnc2[nH]cc(OCc3cccc([N+](=O)[O-])c3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
MAOA P21397 1/20 0.49
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MET P08581 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALK Q9UM73 1/20 0.44
THRB P10828 1/20 0.43
XBP1 P17861 1/20 0.43
PAX8 Q06710 1/20 0.43
KLF5 Q13887 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL298453 0.76 AAK1 (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL297243 0.75 SRC (0.40) MEN1KMT2AMETALDH1A1MAPT
SCHEMBL15936238 0.69 HTR1A (0.63) MAOBMAOAHTR1AADRA1DADRA1A
SCHEMBL858758 0.69 LMNA (0.46) KMT2AALDH1A1MAPTLMNAPKM
SCHEMBL24696857 0.69 MAOB (0.62) MAOBMAOAHTR1AADRA1DADRA1A
SCHEMBL29871300 0.69 KMT2A (0.51) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL28515689 0.69 KMT2A (0.51) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL12173106 0.68 MAPT (0.71) MAOBMAOAHTR1AADRA1DADRA1A
SCHEMBL6599866 0.68 MAOB (0.68) MAOBMAOAMEN1KMT2AALDH1A1
SCHEMBL300130 0.68 MTNR1A (0.43)

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