SCHEMBL13656114

SCHEMBL13656114

Cc1ccc(C(c2ccccn2)c2ccccn2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
CXCR4 P61073 1/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 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
SCHEMBL2457219 0.81 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL11630780 0.81 TSHR (0.41) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL15854854 0.78 SLC6A3 (0.70) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL15854855 0.76 SLC6A3 (0.78) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL2912114 0.73 SLC6A3 (0.61) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL12915346 0.72 MAPT (0.51) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL15854856 0.72 AHR (0.60) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL15854867 0.72 SLC6A3 (0.59) SLC6A3SLC6A2SLC6A4MEN1MAPT
SCHEMBL101583 0.70 CCR1 (0.50) SLC6A3SLC6A2SLC6A4MAPTTDP1
SCHEMBL23449300 0.70 MEN1 (0.39) MEN1KMT2AALDH1A1CXCR4NPSR1

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-2110416-A2 Dispersion of water-insoluble colorant, method of producing substance containing water-insoluble colorant, fine particles of water-insoluble colorant, dispersing agent for water-insoluble colorant, and recording liquid, ink set, printed article, method of forming image and image forming apparatus using the same Fujifilm Corporation (JP) 2009-10-21 EP disclosed
US-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed