SCHEMBL6959871

SCHEMBL6959871

Cc1cccc(CCNC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)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 8/20 0.61
HTT P42858 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 1/20 0.53
MAOA P21397 5/20 0.53
MAOB P27338 5/20 0.53
CSNK2A1 P68400 1/20 0.52
VCP P55072 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL6957376 0.91 KMT2A (0.71) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6957289 0.89 KMT2A (0.62) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6959429 0.89 KMT2A (0.61) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6958055 0.89 MEN1 (0.65) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6964579 0.88 KMT2A (0.61) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6960104 0.86 MEN1 (0.61) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6963651 0.86 MAPT (0.73) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6954407 0.86 KMT2A (0.58) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6955108 0.84 KMT2A (0.59) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6963056 0.84 KMT2A (0.58) KMT2AMEN1MAPTHTTSMN1; SMN2

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 4 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-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