SCHEMBL16588574

SCHEMBL16588574

NOC(=O)c1cc(Br)ccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 5/20 0.54
PTPN1 P18031 4/20 0.54
PTPN6 P29350 2/20 0.54
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 3/20 0.44
RAB9A P51151 1/20 0.44
CES2 O00748 1/20 0.44
GALR3 O60755 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 3/20 0.41
DGAT1 O75907 1/20 0.40
PLAU P00749 1/20 0.40
HSP90AA1 P07900 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL861495 0.80 PTPN2 (0.54) PTPN2PTPN1PTPN6MAPTRAB9A
SCHEMBL29435112 0.77 DGAT1 (0.59) PTPN2PTPN1PTPN6KDM4EGLA
SCHEMBL2853526 0.77 DGAT1 (0.59) PTPN2PTPN1PTPN6KDM4EGLA
SCHEMBL1310573 0.77 MAPT (0.51) PTPN2PTPN1PTPN6KDM4EGLA
SCHEMBL7860222 0.76 PTPN2 (0.50) PTPN2PTPN1PTPN6KDM4EGLA
SCHEMBL17022287 0.76 ALDH1A1 (0.55) PTPN2PTPN1PTPN6KDM4EMAPT
SCHEMBL10436464 0.75 MIF (0.50) KDM4EMAPTRAB9ACYP1A2HPGD
SCHEMBL18583319 0.74 DGAT1 (0.40) PTPN2PTPN1PTPN6KDM4EGLA
SCHEMBL15942268 0.74 CASP3 (0.50) PTPN1MAPTRAB9AHPGDALDH1A1
SCHEMBL570906 0.74 KDM4E (0.63) PTPN2PTPN1PTPN6KDM4EGLA

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-2851408-A1 ORGANIC LIGHT EMITTING ELEMENT, AND LIGHT EMITTING MATERIAL AND COMPOUND USED IN SAME Kyushu University, National University Corporation (JP) 2015-03-25 EP disclosed