SCHEMBL6959709

SCHEMBL6959709

CCOc1ccc(F)c(CCNC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
KMT2A Q03164 8/20 0.49
MEN1 O00255 7/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
THRB P10828 1/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
MAPK1 P28482 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL6962154 0.92 MAPT (0.51) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6954769 0.92 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6964354 0.88 MAPT (0.53) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6957177 0.87 KMT2A (0.56) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6963056 0.87 KMT2A (0.58) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6959298 0.86 MAPT (0.55) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6955954 0.85 KMT2A (0.54) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6963589 0.84 SMN1; SMN2 (0.47) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6962097 0.83 MAPT (0.61) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6961889 0.83 KMT2A (0.61) MAPTKMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed