SCHEMBL4818946

SCHEMBL4818946

C=CCc1c(S)cccc1C1(c2cccc(S)c2CC=C)c2ccccc2-c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1B1 P15121 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL2909587 0.85 GABRA1 (0.43) GABRA1GABRB2KDM4EMEN1LMNA
SCHEMBL7237379 0.81 KDM4E (0.40) GABRA1GABRB2KDM4EMEN1LMNA
SCHEMBL22829541 0.78 GABRA1 (0.40) GABRA1GABRB2KDM4EMEN1LMNA
SCHEMBL4818959 0.77 GABRA1 (0.46) GABRA1GABRB2KDM4EMEN1LMNA
SCHEMBL4761487 0.72 KMT2A (0.45) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL9272904 0.72 GABRA1 (0.41) GABRA1GABRB2KDM4EMEN1LMNA
SCHEMBL2909585 0.71 GABRA1 (0.64) GABRA1GABRB2KDM4EMEN1LMNA
SCHEMBL7237376 0.71 GABRA1 (0.46) GABRA1GABRB2KDM4EMEN1LMNA
SCHEMBL14738811 0.70 ESR1 (0.40) GABRA1GABRB2KDM4EMEN1LMNA
SCHEMBL29703331 0.70 ESR1 (0.40) GABRA1GABRB2KDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008069212-A THIOETHER FLUORENE SKELETON-CONTAINING POLYMER AND METHOD FOR PRODUCING THE SAME TOKYO INSTITUTE OF TECHNOLOGY 2008-03-27 JP disclosed