SCHEMBL6962154

SCHEMBL6962154

CCOc1cccc(F)c1CCNC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
THRB P10828 1/20 0.51
KMT2A Q03164 9/20 0.50
MEN1 O00255 7/20 0.50
HTT P42858 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAOA P21397 7/20 0.49
MAOB P27338 7/20 0.49
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 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
SCHEMBL6959709 0.92 MAPT (0.49) MAPTTHRBKMT2AMEN1HTT
SCHEMBL6959298 0.92 MAPT (0.55) MAPTTHRBKMT2AMEN1HTT
SCHEMBL6963056 0.90 KMT2A (0.58) MAPTTHRBKMT2AMEN1HTT
SCHEMBL6964354 0.90 MAPT (0.53) MAPTTHRBKMT2AMEN1HTT
SCHEMBL6955954 0.88 KMT2A (0.54) MAPTTHRBKMT2AMEN1HTT
SCHEMBL6957177 0.87 KMT2A (0.56) MAPTTHRBKMT2AMEN1HTT
SCHEMBL6961889 0.86 KMT2A (0.61) MAPTTHRBKMT2AMEN1HTT
SCHEMBL6953605 0.86 MAPT (0.59) MAPTTHRBKMT2AMEN1HTT
SCHEMBL6954769 0.86 MAPT (0.54) MAPTTHRBKMT2AMEN1HTT
SCHEMBL6962097 0.85 MAPT (0.61) MAPTTHRBKMT2AMEN1HTT

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