SCHEMBL7609955

SCHEMBL7609955

COc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2SCCc2ccc(-c3ccc(C(=N)N)cc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
ACLY P53396 2/20 0.43
NOD2 Q9HC29 1/20 0.42
F10 P00742 3/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
GUSB P08236 1/20 0.39
F2 P00734 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SGK1 O00141 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL5866372 0.97 GAA (0.46) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL7609950 0.90 GAA (0.43) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL5866288 0.86 SLC16A3 (0.49) MEN1KMT2AACLYNOD2F10
SCHEMBL5866207 0.84 GUSB (0.55) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5866368 0.82 GAA (0.46) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL5866378 0.82 GAA (0.46) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL5866328 0.79 MRGPRX1 (0.54) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL5866223 0.79 CCR2 (0.42) ALDH1A1SMN1; SMN2LMNAF10PRSS1
SCHEMBL5866257 0.79 WDR5 (0.46) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL5866282 0.78 F2 (0.51) GAAALDH1A1MAPTSMN1; SMN2LMNA

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-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 EP disclosed