SCHEMBL14845474

SCHEMBL14845474

COc1ccc(/N=N\c2ccc(ON)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.58
NOS3 P29474 2/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
MAPT P10636 5/20 0.51
RAB9A P51151 3/20 0.51
MAPK1 P28482 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL1405602 0.88 CA1 (0.65) PTGS2NOS3HTR3EHTR3BHTR3A
SCHEMBL1405603 0.88 CA1 (0.65) PTGS2NOS3HTR3EHTR3BHTR3A
SCHEMBL4128652 0.85 CA1 (0.69) NOS3MAPTRAB9AMAPK1NPC1
SCHEMBL14845759 0.82 TDP1 (0.73) PTGS2NOS3HTR3EHTR3BHTR3A
SCHEMBL11153232 0.82 TDP1 (0.73) PTGS2NOS3HTR3EHTR3BHTR3A
SCHEMBL7067347 0.82 TDP1 (0.73) PTGS2NOS3HTR3EHTR3BHTR3A
SCHEMBL21242352 0.81 KMT2A (0.42) PTGS2NOS3HTR3EHTR3BHTR3A
SCHEMBL21242229 0.81 KMT2A (0.57) PTGS2NOS3HTR3EHTR3BHTR3A
SCHEMBL11250440 0.79 PTGS2 (0.60) PTGS2NOS3HTR3EHTR3BHTR3A
SCHEMBL1405136 0.79 CA4 (0.59) PTGS2MAPTRAB9AMAPK1NPC1

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
US-8415472-B2 Water soluble photochromic compounds for labeling of biomolecules and method for detecting biomolecules using the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-04-09 US disclosed