SCHEMBL6961889

SCHEMBL6961889

O=[N+]([O-])c1cccc(-c2csc(NC(=S)NCCc3c(F)cccc3Cl)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.61
MEN1 O00255 9/20 0.61
MAPT P10636 7/20 0.61
ALDH1A1 P00352 3/20 0.61
HTT P42858 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.57
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
THRB P10828 1/20 0.49
MAOA P21397 3/20 0.49

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
SCHEMBL6963056 0.94 KMT2A (0.58) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6959519 0.94 KMT2A (0.66) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6959730 0.90 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6957177 0.89 KMT2A (0.56) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6963950 0.88 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6959298 0.88 MAPT (0.55) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6957671 0.87 KMT2A (0.58) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6962154 0.86 MAPT (0.51) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6962097 0.85 MAPT (0.61) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6954769 0.85 MAPT (0.54) KMT2AMEN1MAPTALDH1A1HTT

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