SCHEMBL629604

SCHEMBL629604

COc1cc(S(=O)(=O)O)c(C)cc1NNc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SNCA P37840 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B2 P37059 1/20 0.36
ENPP2 Q13822 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9636039 0.82 CASR (0.49) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL629603 0.80 PHLPP2 (0.38) ALDH1A1LMNAHTTSMN1; SMN2ENPP2
SCHEMBL14611152 0.77 LRRK2 (0.42) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL7778665 0.73 ALDH1A1 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL9902951 0.72 SNCA (0.41) ALDH1A1LMNAHTTSMN1; SMN2SNCA
SCHEMBL9813346 0.72 TIMP3 (0.51) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL14453590 0.71 KMT2A (0.57) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL10231835 0.71 KMT2A (0.45) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL15423698 0.71 SMN1; SMN2 (0.40) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL8848749 0.71 LMNA (0.56) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2

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