SCHEMBL155282

SCHEMBL155282

CCCCc1ccc([NH])cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.41
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTRC Q99895 1/20 0.35
ELANE P08246 2/20 0.34
CTSG P08311 2/20 0.34
CA2 P00918 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL156403 0.94 TYR (0.44) TYRTSHRMEN1KMT2ATP53
SCHEMBL157231 0.94 TYR (0.44) TYRTSHRMEN1KMT2ATP53
SCHEMBL156571 0.94 TYR (0.44) TYRTSHRMEN1KMT2ATP53
SCHEMBL157160 0.84 HPGD (0.38) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL27816835 0.82 S1PR3 (0.43) TYRTSHRMEN1KMT2ATP53
SCHEMBL31010886 0.82 CA2 (0.45) TYRHTTCA2SMN1; SMN2HPGD
SCHEMBL1270614 0.82 CA2 (0.45) TYRHTTCA2SMN1; SMN2HPGD
SCHEMBL11806380 0.82 TYR (0.59) TYRTSHRMEN1KMT2ATP53
SCHEMBL158548 0.81 MEN1 (0.41) TYRTSHRMEN1KMT2ATP53
SCHEMBL155283 0.81 RAPGEF4 (0.43) TYRTSHRMEN1KMT2ATP53

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-20120056931-A1 MAGENTA COLORING MATTER, INK COMPOSITION, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-03-08 US disclosed