SCHEMBL7760561

SCHEMBL7760561

N#CSc1ccc(C#N)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
AR P10275 1/20 0.37
USP2 O75604 1/20 0.36
USP8 P40818 1/20 0.36
USP5 P45974 1/20 0.36
USP4 Q13107 1/20 0.36
USP7 Q93009 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
STS P08842 1/20 0.34
CA2 P00918 3/20 0.33

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
SCHEMBL7087447 0.79 KMT2A (0.45) IMPDH2IMPDH1ARKDM4EMAPT
SCHEMBL13992668 0.78 AR (0.54) ARUSP2USP8USP5USP4
SCHEMBL21564138 0.78 PKM (0.37) ARUSP2USP8USP5USP4
SCHEMBL7760480 0.78 KDM4E (0.59) USP2USP8USP5USP4USP7
SCHEMBL2318636 0.73 USP2 (0.44) IMPDH2IMPDH1ARUSP2USP8
SCHEMBL818327 0.72 IMPDH2 (0.45) IMPDH2IMPDH1USP2KDM4EALDH1A1
SCHEMBL30488974 0.72 IMPDH2 (0.45) IMPDH2IMPDH1USP2KDM4EALDH1A1
SCHEMBL3066915 0.71 IMPDH2 (0.41) IMPDH2IMPDH1ALDH1A1STSCA2
SCHEMBL11241316 0.71 CYP1A2 (0.53) ARUSP2USP8USP5USP4
SCHEMBL1311361 0.71 IMPDH2 (0.41) IMPDH2IMPDH1ALDH1A1STSCA2

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
EP-0945449-B1 Process for the preparation of saccharincarboxylic acid halides BASF AG (DE) 2001-05-23 EP disclosed
US-5981758-A Preparation of saccharincarbonyl halides BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
EP-0945449-A1 Process for the preparation of saccharincarboxylic acid halides BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed