SCHEMBL6964130

SCHEMBL6964130

Fc1ccc(CCNC(=S)Nc2nc3ccccc3s2)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 5/20 0.46
POLB P06746 4/20 0.46
MEN1 O00255 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 11/20 0.45
NPC1 O15118 10/20 0.45
LMNA P02545 3/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MPI P34949 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
SCHEMBL6960716 0.87 ALDH1A1 (0.51) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL6964847 0.83 ALDH1A1 (0.49) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL6961758 0.83 RAB9A (0.56) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL6959560 0.81 MAPT (0.51) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL6953441 0.81 ALDH1A1 (0.51) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL6951823 0.80 RAB9A (0.64) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL6954430 0.79 L3MBTL1 (0.46) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL6959480 0.79 MAPT (0.55) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL6961895 0.78 DHODH (0.48) ALDH1A1MAPTGAAKMT2APOLB
SCHEMBL6955394 0.78 RAB9A (0.65) ALDH1A1MAPTGAAKMT2APOLB

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