SCHEMBL6953441

SCHEMBL6953441

S=C(NCCc1ccccc1Cl)Nc1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 5/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 10/20 0.51
NPC1 O15118 9/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
UBE2N P61088 1/20 0.51
KMT2A Q03164 5/20 0.48
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
POLB P06746 1/20 0.48
MPI P34949 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
MEN1 O00255 4/20 0.47

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 0.88 RAB9A (0.56) ALDH1A1MAPTGAARAB9ANPC1
SCHEMBL6959560 0.86 MAPT (0.51) ALDH1A1MAPTGAARAB9ANPC1
SCHEMBL6960716 0.86 ALDH1A1 (0.51) ALDH1A1MAPTGAARAB9ANPC1
SCHEMBL6961895 0.85 DHODH (0.48) ALDH1A1MAPTGAARAB9ANPC1
SCHEMBL6963173 0.84 ALDH1A1 (0.49) ALDH1A1MAPTGAARAB9ANPC1
SCHEMBL6962564 0.83 MAPT (0.67) ALDH1A1MAPTGAARAB9ANPC1
SCHEMBL6955394 0.83 RAB9A (0.65) ALDH1A1MAPTGAARAB9ANPC1
SCHEMBL6958732 0.83 NPC1 (0.54) ALDH1A1MAPTGAARAB9ANPC1
SCHEMBL6951823 0.83 RAB9A (0.64) ALDH1A1MAPTGAARAB9ANPC1
SCHEMBL6958394 0.82 CSNK1D (0.56) ALDH1A1MAPTGAARAB9ANPC1

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