SCHEMBL15580366

SCHEMBL15580366

CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.37
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ABCC4 O15439 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
CHRNA7 P36544 3/20 0.34
CSF1R P07333 1/20 0.34
TSHR P16473 2/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CASP1 P29466 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL761081 0.93 LMNA (0.38) HTR3ALMNAKMT2AMEN1ABCC4
SCHEMBL710379 0.91 HTR3A (0.37) HTR3ALMNAKMT2AMEN1ABCC4
Vosaroxin SCHEMBL15933161 0.89 HTR3A (0.35) HTR3ALMNAKMT2AMEN1ABCC4
Vosaroxin SCHEMBL3207291 0.89 HTR3A (0.35) HTR3ALMNAKMT2AMEN1ABCC4
SCHEMBL12055755 0.89 HTR3A (0.35) HTR3ALMNAKMT2AMEN1ABCC4
Vosaroxin SCHEMBL195037 0.89 HTR3A (0.35) HTR3ALMNAKMT2AMEN1ABCC4
Vosaroxin SCHEMBL674441 0.89 HTR3A (0.35) HTR3ALMNAKMT2AMEN1ABCC4
SCHEMBL15802906 0.89 EPHA2 (0.36) HTR3ALMNAKMT2AMEN1ABCC4
Vosaroxin SCHEMBL18694851 0.88 HTR3A (0.35) HTR3ALMNAKMT2AMEN1ABCC4
Hydrochloric Acid SCHEMBL7835838 0.88 HTR3A (0.38) HTR3ALMNAKMT2AMEN1ABCC4

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-2473507-B1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION SUNESIS PHARMACEUTICALS INC (US) 2014-03-19 EP disclosed