SCHEMBL6955478

SCHEMBL6955478

COc1cc(F)c(CCNC(=S)Nc2nc3ccccc3s2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.47
RAB9A P51151 11/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
DHODH Q02127 1/20 0.47
SCD O00767 1/20 0.47
MAPT P10636 6/20 0.47
KLF5 Q13887 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
POLB P06746 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.45
MPI P34949 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6959359 0.90 MAPT (0.56) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6961758 0.86 RAB9A (0.56) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6954972 0.85 RAB9A (0.49) NPC1RAB9AKMT2AMEN1DHODH
SCHEMBL6954430 0.84 L3MBTL1 (0.46) NPC1RAB9AKMT2AMEN1SCD
SCHEMBL6964847 0.84 ALDH1A1 (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6963456 0.83 NPC1 (0.54) NPC1RAB9AKMT2AMEN1DHODH
SCHEMBL6958936 0.83 LMNA (0.57) NPC1RAB9AKMT2AMEN1SCD
SCHEMBL6956229 0.82 NPC1 (0.56) NPC1RAB9AKMT2AMEN1DHODH
SCHEMBL6963999 0.81 NPC1 (0.55) NPC1RAB9AKMT2AMEN1DHODH
SCHEMBL6952703 0.81 NPC1 (0.58) NPC1RAB9AKMT2AMEN1DHODH

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