SCHEMBL8957174

SCHEMBL8957174

N#CCc1cc(CS)c(CC#N)cc1CS

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.34
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL23551155 0.86 CSNK2A1 (0.40) CSNK2A1CYP2A6ALDH1A1HPGDKDM4E
SCHEMBL330965 0.76 IDO1 (0.41) TDP1IDO1
SCHEMBL24176025 0.75 ALDH1A1 (0.47) CSNK2A1CYP2A6ALDH1A1HPGDKDM4E
SCHEMBL20006648 0.75 CSNK2A1 (0.42) CSNK2A1CYP2A6ALDH1A1HPGDKDM4E
SCHEMBL11328742 0.70 HTT (0.36) CSNK2A1CYP2A6ALDH1A1HPGDKDM4E
SCHEMBL18932097 0.68 CSNK2A1 (0.47) CSNK2A1CYP2A6ALDH1A1HPGDKDM4E
SCHEMBL11040769 0.67 KDM4E (0.47) CSNK2A1CYP2A6ALDH1A1HPGDKDM4E
SCHEMBL11743033 0.65 MAPT (0.38) ALDH1A1KDM4E
SCHEMBL4165768 0.65 KDM4E (0.34) CSNK2A1CYP2A6ALDH1A1HPGDKDM4E
SCHEMBL34468362 0.65 CSNK2A1 (0.44) CSNK2A1CYP2A6ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567429-B1 Substituted tetracyanoquinodimethanes, method for their preparation and their use as pi-acceptors and electrical semi-conductors CIBA GEIGY AG (CH) 1996-01-10 EP disclosed
US-5464697-A Substituted tetracyanoquinodimethanes, processes for their preparation and their use CIBA-GEIGY CORPORATION (US) 1995-11-07 US disclosed
US-5426232-A Substituted tetracyanoquinodimethanes, processes for their preparation and their use CIBA-GEIGY CORPORATION (US) 1995-06-20 US disclosed
US-5281730-A Substituted tetracyanoquinodimethanes, processes for their preparation and their use CIBA-GEIGY CORPORATION (US) 1994-01-25 US disclosed
EP-0567429-A1 Substituted tetracyanoquinodimethanes, method for their preparation and their use as pi-acceptors and electrical semi-conductors CIBA-GEIGY AG (CH) 1993-10-27 EP disclosed