SCHEMBL7922166

SCHEMBL7922166

CSc1c(C#N)c(N)nn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 6/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
PLA2G2A P14555 1/20 0.34
ALDH1A1 P00352 6/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
LRRK2 Q5S007 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
PTPN1 P18031 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 3/20 0.32

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
SCHEMBL11543788 0.75 LMNA (0.41) LMNAHTTKDM4EMEN1MAPT
SCHEMBL5740490 0.74 LMNA (0.44) LMNAHTTKDM4EMEN1MAPT
SCHEMBL11546547 0.71 LMNA (0.51) LMNAHTTKDM4EMEN1KMT2A
SCHEMBL4426891 0.69 GABRP (0.46) LMNAHTTNPSR1KDM4EMEN1
SCHEMBL11549662 0.69 LRRK2 (0.46) LMNAHTTKDM4EMEN1MAPT
SCHEMBL16446184 0.69 LMNA (0.38) LMNAHTTKDM4EMAPTKMT2A
SCHEMBL18987920 0.66 MEN1 (0.47) LMNAHTTNPSR1KDM4EMEN1
SCHEMBL20075377 0.66 ADORA2A (0.47) LMNAHTTNPSR1KDM4EMEN1
SCHEMBL22435322 0.63 LMNA (0.35) LMNAHTTLRRK2
SCHEMBL16402408 0.61 GAA (0.39) LMNANPSR1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232271-B1 1-Methyl-5-alkylsulfonyl-, 1-methyl-5-alkylsulfinyl- and 1-methyl-5-alkylthio- substituted pyrazolylpyrazoles, processes for their preparation and their use as herbicides HOECHST SCHERING AGREVO GMBH (DE) 2001-05-15 US disclosed
EP-1034165-A1 PYRAZOLYLPYRAZOLES SUBSTITUTED BY 1-METHYL-5- ALKYLSULPHONYL, 1-METHYL-5- ALKYLSUPHINYL AND 1-METHYL-5- ALKYLTHIO, METHODS FOR PREPARING THEM AND USE AS HERBICIDES Aventis CropScience GmbH (DE) 2000-09-13 EP disclosed
WO-1999026931-A1 PYRAZOLYLPYRAZOLES SUBSTITUTED BY 1-METHYL-5- ALKYLSULPHONYL, 1-METHYL-5- ALKYLSUPHINYL AND 1-METHYL-5- ALKYLTHIO, METHODS FOR PREPARING THEM AND USE AS HERBICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-06-03 WO disclosed
US-5869686-A Substituted pyrazole derivatives, processes for their preparation and their use as herbicides HOECHST SCHERING AGREVO GMBH (DE) 1999-02-09 US disclosed
EP-0663913-B1 NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-07-29 EP disclosed
US-5756424-A POTENTIATION HOECHST SCHERING AGREVO GMBH (DE) 1998-05-26 US disclosed
US-5580986-A HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-12-03 US disclosed
EP-0663913-A1 NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES Hoechst Schering AgrEvo GmbH (DE) 1995-07-26 EP disclosed
WO-1994008999-A1 NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1994-04-28 WO disclosed