SCHEMBL7425960

SCHEMBL7425960

[C-]#[N+]CS(=O)(=O)C(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GSK3B P49841 1/20 0.40
HSD11B1 P28845 1/20 0.39
KMT2A Q03164 6/20 0.38
PKM P14618 2/20 0.38
HTT P42858 2/20 0.38
ATM Q13315 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
NLRP1 Q9C000 1/20 0.38
NTSR1 P30989 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL777046 0.79 ALDH1A1 (0.50) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL9312379 0.73 ALDH1A1 (0.43) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL180685 0.72 ALDH1A1 (0.56) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL3626577 0.71 ALDH1A1 (0.42) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL27962643 0.71 ALDH1A1 (0.53) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL777939 0.70 ALDH1A1 (0.54) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL1148875 0.70 ALDH1A1 (0.54) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL1412844 0.70 ALDH1A1 (0.54) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL1660614 0.69 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL1910 0.69 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1GAA

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
EP-0333661-B1 Process for the preparation of a pyrole derivative CIBA GEIGY AG (CH) 1994-04-27 EP claimed
EP-0656025-B2 SOLUTION FOR COATING NON CONDUCTORS WITH CONDUCTIVE POLYMERS AND THEIR METALLIZATION PROCESS ATOTECH DEUTSCHLAND GMBH (DE) 2000-09-27 EP disclosed
EP-0656025-B1 SOLUTION FOR COATING NON CONDUCTORS WITH CONDUCTIVE POLYMERS AND THEIR METALLIZATION PROCESS ATOTECH DEUTSCHLAND GMBH (DE) 1997-10-08 EP disclosed
EP-0656025-A1 SOLUTION FOR COATING NON CONDUCTORS WITH CONDUCTIVE POLYMERS AND THEIR METALLIZATION PROCESS. ATOTECH DEUTSCHLAND GMBH (DE) 1995-06-07 EP disclosed
EP-0333661-B1 Process for the preparation of a pyrole derivative CIBA GEIGY AG (CH) 1994-04-27 EP disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed
WO-1994004591-A1 SOLUTION FOR COATING NON CONDUCTORS WITH CONDUCTIVE POLYMERS AND THEIR METALLIZATION PROCESS ATOTECH DEUTSCHLAND GMBH (DE) 1994-03-03 WO disclosed
EP-0529400-A1 3-(2-Chloro-3-trifluoromethyl)-4-cyanopyrrole, as insecticides BAYER AG (DE) 1993-03-03 EP disclosed
EP-0333661-A2 Process for the preparation of a pyrole derivative CIBA-GEIGY AG (CH) 1989-09-20 EP disclosed