SCHEMBL9870931

SCHEMBL9870931

N#CCCCCCCCCNS(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 6/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PARG Q86W56 1/20 0.51
TRPV4 Q9HBA0 1/20 0.47
CCR1 P32246 1/20 0.47
FABP4 P15090 2/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
AKR1C3 P42330 1/20 0.46
PGR P06401 1/20 0.46

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
SCHEMBL9872185 0.84 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL9870435 0.84 ALDH1A1 (0.74) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL5505553 0.81 FBP1 (0.59) FBP1ALDH1A1KDM4ELMNAPKM
SCHEMBL6689816 0.81 PGR (0.51) FBP1ALDH1A1LMNAPKMKMT2A
SCHEMBL31014170 0.80 LMNA (0.56) FBP1ALDH1A1KDM4ELMNAPKM
SCHEMBL9870700 0.78 FABP4 (0.77) FBP1ALDH1A1KDM4ELMNAPKM
SCHEMBL9872117 0.78 FABP4 (0.77) FBP1ALDH1A1KDM4ELMNAPKM
SCHEMBL9871347 0.78 FABP4 (0.77) FBP1ALDH1A1KDM4ELMNAPKM
SCHEMBL1287335 0.76 ALDH1A1 (0.72) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL9869796 0.75 GAA (0.54) ALDH1A1KDM4ELMNAPKMSMN1; 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