SCHEMBL9615073

SCHEMBL9615073

O=C(O)c1n[nH]cc1-c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ENPP2 Q13822 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 3/20 0.35
NT5E P21589 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
PRKAB2 O43741 4/20 0.33
PRKAG1 P54619 4/20 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
SCHEMBL15510700 0.87 KDM4E (0.40) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL948199 0.80 KDM4E (0.50) SMN1; SMN2LMNAALDH1A1KDM4EPRKAB2
SCHEMBL15758954 0.79 ALPL (0.45) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL1776218 0.79 CA12 (0.45) CA12PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15758825 0.79 CA12 (0.45) TSHRCA12PRKAB2PRKAG1PRKAA2
SCHEMBL9353501 0.76 PRKAG1 (0.53) SMN1; SMN2ALDH1A1KDM4EHPGDCYP2D6
SCHEMBL16109091 0.76 KDM4E (0.36) SMN1; SMN2LMNAALDH1A1KDM4ECA9
SCHEMBL16209016 0.75 KDM4E (0.36) TSHRSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL30140003 0.74 POLB (0.51) ALDH1A1HSD17B10POLBCYP2D6TDP1
SCHEMBL3383809 0.72 KDM4E (0.46) SMN1; SMN2LMNAALDH1A1KDM4EPRKAB2

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-0511246-A1 WATER-SOLUBLE DYES WHICH REACT WITH FIBRES, PROCESS FOR PRODUCING THEM AND THEIR USE. HOECHST AG (DE) 1992-11-04 EP disclosed