SCHEMBL629603

SCHEMBL629603

COc1cc(S(=O)(=O)O)c(C)cc1N[N]c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 2/20 0.38
BRD4 O60885 1/20 0.36
PTPN1 P18031 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ENPP2 Q13822 4/20 0.35
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
CASR P41180 1/20 0.34

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
SCHEMBL629604 0.80 ALDH1A1 (0.37) SMN1; SMN2HTTALDH1A1LMNAENPP2
SCHEMBL14611152 0.75 LRRK2 (0.42) BRD4SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL14533129 0.74 PHLPP2 (0.55) PHLPP2BRD4PTPN1PTGS1PTGS2
SCHEMBL10922280 0.74 PTPN1 (0.41) BRD4PTPN1SMN1; SMN2HTTALDH1A1
SCHEMBL9813345 0.74 TIMP3 (0.46) PHLPP2SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL5471076 0.73 PTPRC (0.32) PTPN1ENPP2CASR
SCHEMBL5471082 0.73 PTPRC (0.32) PTPN1ENPP2CASR
SCHEMBL29878763 0.73 PTPRC (0.32) PTPN1ENPP2CASR
SCHEMBL7778665 0.72 ALDH1A1 (0.48) ALDH1A1
SCHEMBL14453590 0.70 KMT2A (0.57) BRD4SMN1; SMN2HTTALDH1A1LMNA

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-2420538-A1 PORPHYRAZINE DYE, INK COMPOSITION CONTAINING SAME, AND COLORED BODY Nippon Kayaku Kabushiki Kaisha (JP) 2012-02-22 EP disclosed