SCHEMBL6574434

SCHEMBL6574434

Cc1ccc(NS(=O)(=O)c2ccccc2)c(C)c1NC(=O)CNC(=N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
RCE1 Q9Y256 1/20 0.41
KMT2A Q03164 3/20 0.41
METAP2 P50579 5/20 0.40
PIK3CD O00329 1/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYTH2 Q99418 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
METAP1 P53582 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
SCHEMBL6764627 0.78 F2 (0.60) F2PRSS1PRSS2PRSS3
SCHEMBL6574437 0.78 ALDH1A1 (0.44) HTTALDH1A1GAAF2PRSS1
SCHEMBL6574363 0.73 MCL1 (0.47) HTTALDH1A1GAAF2PRSS1
SCHEMBL6765941 0.67 F2 (0.59) HTTALDH1A1GAAF2PRSS1
SCHEMBL17331322 0.64 CYP2C9 (0.60) HTTALDH1A1GAAKMT2AMETAP2
SCHEMBL5326622 0.64 METAP2 (0.61) HTTALDH1A1GAAKMT2AMETAP2
SCHEMBL17331324 0.63 CYP2C9 (0.80) HTTALDH1A1GAAKMT2ATSHR
SCHEMBL5728635 0.62 ABAT (0.47) ALDH1A1GAAKMT2AALOX15HSD17B10
SCHEMBL5822638 0.62 FFAR4 (0.72) HTTALDH1A1GAAKMT2AMETAP2
Hydrochloric Acid SCHEMBL11624632 0.62 GAA (0.42) ALDH1A1GAAPRSS1PRSS2PRSS3

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
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 WO disclosed