SCHEMBL7199290

SCHEMBL7199290

O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)SC2=S)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 10/20 0.51
MAP3K5 Q99683 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NLRP3 Q96P20 1/20 0.47
EIF4E P06730 1/20 0.47
EIF4G1 Q04637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6790077 1.00 CFTR (0.51) CFTRMAP3K5MEN1KMT2ANLRP3
SCHEMBL7665278 0.90 CFTR (0.61) CFTRMAP3K5MEN1KMT2ANLRP3
SCHEMBL6789461 0.90 CFTR (0.61) CFTRMAP3K5MEN1KMT2ANLRP3
SCHEMBL6788448 0.88 CFTR (0.61) CFTRMAP3K5MEN1KMT2ANLRP3
SCHEMBL6792204 0.84 CFTR (0.49) CFTRMAP3K5MEN1KMT2A
SCHEMBL3344546 0.81 CFTR (0.70) CFTRMEN1KMT2ANLRP3ALDH1A1
SCHEMBL7852499 0.80 MAP3K5 (0.72) MAP3K5MAPT
SCHEMBL6790074 0.80 MAP3K5 (0.72) MAP3K5MAPT
SCHEMBL7645400 0.80 MAP3K5 (0.72) MAP3K5MAPT
SCHEMBL6785810 0.79 MAP3K5 (0.73) MAP3K5MEN1KMT2AMCL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1128832-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-03-05 EP claimed
EP-1128832-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2001-09-05 EP claimed
WO-2000010573-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2000-03-02 WO claimed
EP-1128832-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-03-05 EP disclosed
EP-1128832-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2001-09-05 EP disclosed
WO-2000010573-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2000-03-02 WO disclosed