SCHEMBL5885121

SCHEMBL5885121

Nc1nc(Nc2ccc(C(=O)O)cc2)nc(Nc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
AURKA O14965 3/20 0.55
RHOA P61586 1/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
AURKB Q96GD4 1/20 0.51
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.49
PIN1 Q13526 2/20 0.48

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
SCHEMBL1023029 0.91 NPC1 (0.71) NPC1RAB9ASMN1; SMN2AURKARHOA
SCHEMBL29874885 0.89 NPC1 (0.69) NPC1RAB9ASMN1; SMN2AURKARHOA
SCHEMBL12998766 0.86 GAA (0.61) NPC1RAB9ASMN1; SMN2AURKARHOA
SCHEMBL4569980 0.85 RHOA (0.72) NPC1RAB9ASMN1; SMN2AURKARHOA
SCHEMBL18516810 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2AURKARHOA
SCHEMBL17212282 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2AURKARHOA
SCHEMBL304437 0.82 POLB (0.63) NPC1RAB9ASMN1; SMN2AURKARHOA
SCHEMBL13157249 0.80 NPC1 (0.59) NPC1RAB9ASMN1; SMN2AURKARHOA
SCHEMBL14817396 0.80 RHOA (0.79) NPC1RAB9AAURKARHOAMAPT
SCHEMBL21925299 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2AURKARHOA

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
US-7135062-B2 Hydrophilic coloring matter for recording image, aqueous coloring agent for recording image, method and device for recording image DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2006-11-14 US disclosed
EP-1650268-A1 HYDROPHILIC COLORING MATTER FOR RECORDING IMAGE, AQUEOUS COLORING AGENT FOR RECORDING IMAGE, METHOD AND DEVICE FOR RECORDING IMAGE DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 2006-04-26 EP disclosed
US-20050235874-A1 Hydrophilic coloring matter for recording image, aqueous coloring agent for recording image, method and device for recording image DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2005-10-27 US disclosed