SCHEMBL9872185

SCHEMBL9872185

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
PKM P14618 2/20 0.53
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PARG Q86W56 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 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
SCHEMBL6020817 0.87 TSHR (0.57) ALDH1A1TP53GAAKMT2AMEN1
SCHEMBL9577200 0.87 ALDH1A1 (0.68) ALDH1A1TP53GAAKMT2AMEN1
SCHEMBL9869796 0.85 GAA (0.54) ALDH1A1GAAKMT2AMEN1PKM
SCHEMBL9870435 0.84 ALDH1A1 (0.74) ALDH1A1TP53GAAKMT2AMEN1
SCHEMBL9870931 0.84 FBP1 (0.52) ALDH1A1TP53KMT2AMEN1PKM
SCHEMBL11629929 0.80 ALDH1A1 (0.59) ALDH1A1TP53GAAKMT2AMEN1
SCHEMBL16541838 0.80 KMT2A (0.59) ALDH1A1TP53GAAKMT2AMEN1
SCHEMBL7613900 0.80 TBXA2R (0.62) ALDH1A1TP53GAAKMT2AMEN1
SCHEMBL7617764 0.80 TSHR (0.59) ALDH1A1TP53GAAKMT2AMEN1
SCHEMBL27278034 0.80 MEN1 (0.59) ALDH1A1TP53GAAKMT2AMEN1

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