SCHEMBL6959359

SCHEMBL6959359

CCOc1cc(F)c(CCNC(=S)Nc2nc3ccccc3s2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 12/20 0.48
RAB9A P51151 11/20 0.48
SMN1; SMN2 Q16637 10/20 0.48
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MEN1 O00255 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TP53 P04637 1/20 0.45
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.44
USP2 O75604 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
SCHEMBL6955478 0.90 NPC1 (0.47) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL6963482 0.85 ALDH1A1 (0.48) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL6963535 0.85 MAPT (0.49) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL6964847 0.84 ALDH1A1 (0.49) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL6961758 0.84 RAB9A (0.56) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL6953898 0.80 ALDH1A1 (0.52) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL6954972 0.79 RAB9A (0.49) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6959064 0.78 SMN1; SMN2 (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6954430 0.78 L3MBTL1 (0.46) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL8891868 0.78 MAPT (0.81) MAPTALDH1A1HPGDNPC1RAB9A

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