SCHEMBL8965735

SCHEMBL8965735

Nc1ccc2c(c1)C=CC(=S(=O)=O)C2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR9 Q9NR96 1/20 0.33
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL30610465 0.73 PARP1 (0.35) CA1CA2
SCHEMBL29647884 0.65 MAPT (0.36) CA9MEN1KMT2AMAPTLMNA
SCHEMBL2730845 0.65 MAPT (0.36) CA9MEN1KMT2AMAPTLMNA
SCHEMBL4621774 0.65 MAPT (0.41) CA9MEN1KMT2AMAPTLMNA
SCHEMBL5535095 0.64
SCHEMBL28145470 0.63 MAPT (0.35) CA9MEN1KMT2AMAPTLMNA
SCHEMBL31503035 0.62 CA9 (0.35) CA9MEN1KMT2AMAPTLMNA
SCHEMBL10601676 0.62 MAPT (0.42) CA9MEN1KMT2AMAPTLMNA
SCHEMBL28629984 0.62 MAPT (0.38) CA9MEN1KMT2AMAPTLMNA
SCHEMBL7795544 0.61

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0216600-B1 Laser excitation fluorescence detection electrokinetic separation UNIV LELAND STANFORD JUNIOR (US) 1996-02-21 EP disclosed
EP-0485370-A2 Laser-excitation fluorescence detection electrokinetic separation THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1992-05-13 EP disclosed