SCHEMBL3811263

SCHEMBL3811263

Cc1ccc(C)c(S(=O)(=O)Nc2cc(-c3ccc(F)cc3)sc2OC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
IKBKB O14920 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
G6PD P11413 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL3812574 0.94 KDM4E (0.47) NPSR1KDM4EMEN1KMT2AALDH1A1
SCHEMBL3817153 0.90 NPSR1 (0.51) NPSR1KDM4EMEN1KMT2AMAPT
SCHEMBL3807312 0.88 NPSR1 (0.53) NPSR1KDM4EIKBKBRXFP1
SCHEMBL3811075 0.86 MEN1 (0.48) NPSR1KDM4EMEN1KMT2AMAPT
SCHEMBL3816532 0.86 NPSR1 (0.69) NPSR1KDM4EMEN1KMT2AMAPT
SCHEMBL3816697 0.86 NPSR1 (0.46) NPSR1KDM4EMAPTIKBKBLMNA
SCHEMBL3812625 0.85 NPSR1 (0.52) NPSR1KDM4ERXFP1
SCHEMBL2157446 0.85 NPSR1 (0.62) NPSR1KDM4EIKBKBRXFP1
SCHEMBL3811718 0.84 KCNH2 (0.51) NPSR1KDM4EIKBKB
SCHEMBL3811663 0.82 NPSR1 (0.48) NPSR1KDM4EIKBKBALDH1A1RXFP1

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 claimed