SCHEMBL6964342

SCHEMBL6964342

COc1cc(F)c(CCNC(=S)Nc2ncc[nH]2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 3/20 0.40
HPGDS O60760 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HTT P42858 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 5/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
QPCT Q16769 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
ALOX12 P18054 3/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL6964940 0.90 KMT2A (0.37) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL6954180 0.82 PTGES (0.38) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL6954353 0.82 RAB9A (0.42) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6965853 0.81 KMT2A (0.41) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL6962193 0.81 GAA (0.44) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL6959831 0.80 LMNA (0.62) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL6962622 0.79 GAA (0.45) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL6958569 0.79 GAA (0.52) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL6959257 0.78 MEN1 (0.50) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL6952474 0.78 MEN1 (0.53) MAPTMEN1KMT2ASMN1; SMN2GAA

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 6 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-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US 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