SCHEMBL6959775

SCHEMBL6959775

COc1ccc(CCNC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
RECQL P46063 1/20 0.53
RAB9A P51151 1/20 0.53
MAOA P21397 6/20 0.52
MAOB P27338 6/20 0.52
KMO O15229 1/20 0.51
HTT P42858 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL6964531 0.94 MAPT (0.62) MAPTMEN1KMT2ARECQLRAB9A
SCHEMBL6954822 0.91 MAPT (0.60) MAPTMEN1KMT2ARECQLRAB9A
SCHEMBL6963651 0.88 MAPT (0.73) MAPTMEN1KMT2ARECQLRAB9A
SCHEMBL6958055 0.88 MEN1 (0.65) MAPTMEN1KMT2ARECQLRAB9A
SCHEMBL6953605 0.88 MAPT (0.59) MAPTMEN1KMT2ARECQLRAB9A
SCHEMBL6962097 0.85 MAPT (0.61) MAPTMEN1KMT2ARECQLRAB9A
SCHEMBL6955954 0.85 KMT2A (0.54) MAPTMEN1KMT2ARECQLRAB9A
SCHEMBL6964598 0.84 NPC1 (0.59) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL6959298 0.84 MAPT (0.55) MAPTMEN1KMT2ARECQLRAB9A
SCHEMBL6954407 0.83 KMT2A (0.58) MAPTMEN1KMT2ARAB9AMAOA

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