SCHEMBL13715768

SCHEMBL13715768

COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(F)cc1F

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.74
POLB P06746 2/20 0.72
HPGD P15428 2/20 0.67
MAPT P10636 7/20 0.66
TP53 P04637 4/20 0.66
ALDH1A1 P00352 2/20 0.63
LMNA P02545 1/20 0.63
NPSR1 Q6W5P4 2/20 0.61
MAPK1 P28482 1/20 0.59
GFER P55789 1/20 0.59
HTT P42858 1/20 0.57
ATM Q13315 1/20 0.57
MEN1 O00255 1/20 0.56
CRHBP P24387 1/20 0.56
KMT2A Q03164 1/20 0.56
CRHR2 Q13324 1/20 0.56

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
SCHEMBL2158019 0.89 POLB (0.70) KDM4EPOLBHPGDMAPTTP53
SCHEMBL3814598 0.83 TP53 (0.52) KDM4EPOLBHPGDMAPTTP53
SCHEMBL2158542 0.82 KDM4E (0.85) KDM4EPOLBHPGDMAPTTP53
SCHEMBL2158389 0.80 KDM4E (0.73) KDM4EPOLBHPGDMAPTTP53
SCHEMBL1406017 0.79 POLB (0.71) KDM4EPOLBHPGDMAPTTP53
SCHEMBL13715867 0.78 KDM4E (0.70) KDM4EPOLBHPGDMAPTTP53
SCHEMBL5368759 0.78 MAPT (1.00) KDM4EPOLBHPGDMAPTTP53
SCHEMBL7057264 0.78 MAPT (0.80) KDM4EPOLBHPGDMAPTTP53
SCHEMBL14103873 0.77 ALDH1A1 (0.70) KDM4EPOLBHPGDMAPTALDH1A1
SCHEMBL7054758 0.77 KDM4E (0.70) KDM4EPOLBHPGDMAPTTP53

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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP disclosed