SCHEMBL8885986

SCHEMBL8885986

CN(CCCC(=O)O)S(=O)(=O)c1ccc(-c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
TMPRSS15 P98073 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PLAU P00749 1/20 0.42
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ALOX5 P09917 1/20 0.40

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
Hydrochloric Acid SCHEMBL8885983 0.86 TMPRSS15 (0.46) GAATMPRSS15TDP1PLAULMNA
SCHEMBL8886607 0.79 ITGB3 (0.57) TMPRSS15ITGB3ITGA2B
SCHEMBL8410910 0.76 HDAC1 (0.49) ITGB3ITGA2BHTT
SCHEMBL21339785 0.75 PRSS1 (0.47) PLAULMNASMN1; SMN2HTTPOLB
SCHEMBL8409042 0.74 LMNA (0.60) LMNA
SCHEMBL3484826 0.73 GAA (0.59) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL599787 0.73 GAA (0.59) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL9252896 0.73 MEN1 (0.50) GAAMEN1KMT2A
SCHEMBL8886144 0.73 ITGB3 (0.54) TMPRSS15ITGB3ITGA2BPLAU
SCHEMBL8886122 0.73 WDR5 (0.42) ITGB3ITGA2BALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed