SCHEMBL9869796

SCHEMBL9869796

N#CCCCCCCCCNS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ALDH1A1 P00352 4/20 0.53
PKM P14618 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SIGMAR1 Q99720 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
PARG Q86W56 1/20 0.48
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
TSHR P16473 1/20 0.45
CYP19A1 P11511 1/20 0.44

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
SCHEMBL6020167 0.87 PDE4A (0.56) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL9780583 0.87 ALDH1A1 (0.67) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL9872185 0.85 ALDH1A1 (0.55) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL9870435 0.84 ALDH1A1 (0.74) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL24762016 0.80 GAA (0.57) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL10078758 0.80 ALDH1A1 (0.75) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL12656334 0.80 ALDH1A1 (0.75) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL23683085 0.80 GAA (0.61) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL23683108 0.80 GAA (0.57) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL5499591 0.80 ALDH1A1 (0.59) GAAALDH1A1PKMKMT2AMEN1

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