SCHEMBL6955394

SCHEMBL6955394

Fc1cccc(Cl)c1CCNC(=S)Nc1nc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.65
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
RECQL P46063 1/20 0.65
NPC1 O15118 12/20 0.55
UBE2N P61088 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 2/20 0.46
CSNK1D P48730 3/20 0.44
CNR1 P21554 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 4/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL6959138 0.92 RAB9A (0.56) RAB9AKMT2AMEN1RECQLNPC1
SCHEMBL6961758 0.92 RAB9A (0.56) RAB9AKMT2AMEN1RECQLNPC1
SCHEMBL6963173 0.86 ALDH1A1 (0.49) RAB9AKMT2AMEN1RECQLNPC1
SCHEMBL6954972 0.85 RAB9A (0.49) RAB9AKMT2AMEN1RECQLNPC1
SCHEMBL6964847 0.84 ALDH1A1 (0.49) RAB9AKMT2AMEN1RECQLNPC1
SCHEMBL6960716 0.83 ALDH1A1 (0.51) RAB9AKMT2AMEN1RECQLNPC1
SCHEMBL6953441 0.83 ALDH1A1 (0.51) RAB9AKMT2AMEN1RECQLNPC1
SCHEMBL6963482 0.83 ALDH1A1 (0.48) RAB9AKMT2AMEN1RECQLNPC1
SCHEMBL6954430 0.80 L3MBTL1 (0.46) RAB9AKMT2AMEN1RECQLNPC1
SCHEMBL6955478 0.79 NPC1 (0.47) RAB9AKMT2AMEN1NPC1ALDH1A1

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