SCHEMBL12464664

SCHEMBL12464664

CC1CC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C2COCOC2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
IKBKB O14920 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL2157485 0.91 NR1I2 (0.39) PTPRFPTPN1KDM4EHTTATM
SCHEMBL12464253 0.88 KDM4E (0.37) PTPRFPTPN1KDM4EHTTATM
SCHEMBL12464670 0.85 KDM4E (0.38) PTPRFPTPN1KDM4EHTTATM
SCHEMBL12464440 0.83 MKNK1 (0.40) KDM4EHTTATM
SCHEMBL17635079 0.80 KDM4E (0.42) PTPRFPTPN1KDM4EHTTATM
SCHEMBL2878321 0.80 KDM4E (0.42) PTPRFPTPN1KDM4EHTTATM
SCHEMBL2244516 0.80 CYP2E1 (0.40) PTPRFPTPN1KDM4EHTTATM
SCHEMBL2157768 0.79 NR1I2 (0.38) PTPRFPTPN1KDM4EHTTATM
SCHEMBL3815104 0.78 KDM4E (0.36) KDM4EHTTATM
SCHEMBL102105 0.78 KDM4E (0.39) PTPRFPTPN1KDM4EHTTATM

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
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed