SCHEMBL15836258

SCHEMBL15836258

NCCNc1nc(NCCN)nc(N(CCO)CCO)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 19/20 0.45
GAA P10253 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
PDE2A O00408 1/20 0.35
RGS12 O14924 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCC5 O15440 1/20 0.35
PDE6D O43924 1/20 0.35
PDE8A O60658 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
PDE5A O76074 1/20 0.35
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL16687471 0.88 SLC29A1 (0.38) SLC29A1KDM4E
SCHEMBL16131113 0.87 SLC29A1 (0.43) SLC29A1GAACYP2C19KDM4EALDH1A1
SCHEMBL1032559 0.87 SLC29A1 (0.49) SLC29A1GAAMEN1KMT2A
SCHEMBL2219150 0.83 SLC29A1 (0.49) SLC29A1GAAMEN1KMT2A
SCHEMBL13295563 0.82 SLC29A1 (0.66) SLC29A1GAACYP2C19MEN1LMNA
SCHEMBL1077004 0.79 SLC29A1 (0.46) SLC29A1GAACYP2C19KDM4EMEN1
SCHEMBL13295561 0.78 GAA (0.53) SLC29A1GAACYP2C19KDM4EMEN1
SCHEMBL7597940 0.77 ALDH1A1 (0.33) SLC29A1GAACYP2C19ALDH1A1SMN1; SMN2
SCHEMBL430482 0.76 CXCR4 (0.40) GAACYP2C19KDM4EMEN1ALDH1A1
SCHEMBL14561892 0.75 CA1 (0.43) GAACYP2C19KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023139-B2 Coloring composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2015-05-05 US disclosed
EP-2821444-A1 COLORED COMPOSITION, INKJET RECORDING INK, AND INKJET RECORDING METHOD Fujifilm Corporation (JP) 2015-01-07 EP disclosed
US-20140368573-A1 COLORING COMPOSITION, INK FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2014-12-18 US disclosed
US-8845760-B2 Compound having multimer structure of xanthene derivative, coloring composition, ink for inkjet recording, method of inkjet recording, color filter, and color toner FUJIFILM CORPORATION (JP) 2014-09-30 US disclosed
US-20140176653-A1 NOVEL COMPOUND HAVING MULTIMER STRUCTURE OF XANTHENE DERIVATIVE, COLORING COMPOSITION, INK FOR INKJET RECORDING, METHOD OF INKJET RECORDING, COLOR FILTER, AND COLOR TONER FUJIFILM CORPORATION (JP) 2014-06-26 US disclosed
US-20140176653-A1 NOVEL COMPOUND HAVING MULTIMER STRUCTURE OF XANTHENE DERIVATIVE, COLORING COMPOSITION, INK FOR INKJET RECORDING, METHOD OF INKJET RECORDING, COLOR FILTER, AND COLOR TONER FUJIFILM CORPORATION (JP) 2014-06-26 US disclosed