SCHEMBL9870435

SCHEMBL9870435

N#CCCCCCCCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.74
PKM P14618 2/20 0.74
KDM4E B2RXH2 1/20 0.74
LMNA P02545 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
TBXA2R P21731 2/20 0.60
MAPK1 P28482 1/20 0.54
PARG Q86W56 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
EPHX2 P34913 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL6021266 0.86 PARG (0.63) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL21048464 0.86 ALDH1A1 (1.00) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL12672471 0.86 ALDH1A1 (1.00) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL8349699 0.86 ALDH1A1 (1.00) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL9577143 0.86 ALDH1A1 (1.00) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL9872185 0.84 ALDH1A1 (0.55) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL9869796 0.84 GAA (0.54) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL10453840 0.84 ALDH1A1 (0.96) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL9870931 0.84 FBP1 (0.52) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL10439296 0.82 ALDH1A1 (0.71) ALDH1A1PKMKDM4ELMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997847-A Thromboxane A2 antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (DE) 1991-03-05 US disclosed
EP-0304271-A2 Omega-arylsulphonamidoalkanoic acids for treatment of thromboxane medited diseases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-22 EP disclosed