SCHEMBL154642

SCHEMBL154642

CCCOc1cc([NH])ccc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.39
S1PR3 Q99500 1/20 0.38
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL157597 0.87 TRPV4 (0.43) MCOLN3MAPTHSD17B10HTTMEN1
SCHEMBL154643 0.81 GAA (0.53) MCOLN3S1PR3MAPTHSD17B10HTT
SCHEMBL156094 0.80 S1PR3 (0.46) S1PR3HTTMEN1KMT2ALMNA
SCHEMBL154426 0.78 ALDH1A1 (0.43) MCOLN3MAPTKMT2ALMNASMN1; SMN2
SCHEMBL156473 0.78 S1PR3 (0.53) S1PR3MAPTMEN1KMT2ALMNA
SCHEMBL419405 0.77 MEN1 (0.43) MAPTHSD17B10HTTMEN1KMT2A
SCHEMBL4501364 0.75 RAB9A (0.46) S1PR3MAPTHTTMEN1KMT2A
SCHEMBL6534834 0.74 TUBB4A (0.47) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL28671707 0.74 HSD17B10 (0.46) S1PR3MAPTHSD17B10HTTMEN1
SCHEMBL155725 0.73 LMNA (0.38) HSD17B10LMNAPOLBHPGD

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