SCHEMBL11061329

SCHEMBL11061329

Cc1c(NCS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.62
KDM4E B2RXH2 4/20 0.62
TSHR P16473 1/20 0.61
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
POLB P06746 2/20 0.58
ALDH1A1 P00352 1/20 0.57
MAPT P10636 3/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 1/20 0.55
F2 P00734 1/20 0.55
GLA P06280 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL25835 0.85 ALDH1A1 (0.60) GAAKDM4ETSHRCYP1A2CYP2D6
SCHEMBL2523863 0.82 KDM4E (0.62) GAAKDM4ETSHRCYP1A2CYP2D6
SCHEMBL8940421 0.81 GAA (0.65) GAAKDM4ETSHRCYP1A2CYP2D6
SCHEMBL5059395 0.80 PTGS1 (0.55) GAAKDM4ETSHRCYP1A2CYP2D6
SCHEMBL27472857 0.79 GAA (0.62) GAAKDM4ETSHRCYP1A2CYP2D6
SCHEMBL8651089 0.78 KDM4E (0.68) GAAKDM4ETSHRCYP1A2CYP2D6
SCHEMBL8940124 0.78 KDM4E (0.68) GAAKDM4ETSHRCYP1A2CYP2D6
SCHEMBL28880300 0.77 TSHR (0.81) GAAKDM4ETSHRPOLBALDH1A1
SCHEMBL537958 0.76 KDM4E (0.69) GAAKDM4ETSHRCYP1A2CYP2D6
Ramifenazone SCHEMBL24763 0.76 KDM4E (1.00) GAAKDM4ETSHRCYP1A2CYP2D6

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
US-4455298-A MOLLUSC EXTRACT MCFARLANE STUART J (NZ) 1984-06-19 US disclosed
EP-0010061-B1 PHARMACEUTICAL PREPARATIONS CONTAINING A MOLLUSC EXTRACT Mc Farlane, Stuart John (NZ) 1983-07-13 EP disclosed
WO-1980000661-A1 PHARMACEUTICAL PREPARATIONS CROFT J (NZ) 1980-04-17 WO disclosed
EP-0010061-A1 Pharmaceutical preparations containing a mollusc extract Mc Farlane, Stuart John (NZ) 1980-04-16 EP disclosed
EP-0007572-A1 Pharmaceutical mixtures containing an amantadine compound CIBA-GEIGY AG (CH) 1980-02-06 EP disclosed