SCHEMBL6963658

SCHEMBL6963658

CC(C)c1ccnc(NC(=S)NCCC2=CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
RAB9A P51151 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 3/20 0.55
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 12/20 0.54
MAPT P10636 5/20 0.54
ALOX12 P18054 5/20 0.54
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.51
LMNA P02545 6/20 0.51
ACHE P22303 2/20 0.50
BCHE P06276 1/20 0.50
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL6950122 0.80 ALDH1A1 (0.67) SMN1; SMN2RAB9AMEN1KMT2AHTT
SCHEMBL6963664 0.79 ALDH1A1 (0.57) SMN1; SMN2RAB9AMEN1KMT2AHTT
SCHEMBL7074252 0.73 SMN1; SMN2 (0.69) SMN1; SMN2RAB9AMEN1KMT2AHTT
SCHEMBL6838100 0.73 LTC4S (0.62) SMN1; SMN2RAB9AMEN1KMT2AHTT
SCHEMBL30733304 0.73 SMN1; SMN2 (0.69) SMN1; SMN2RAB9AMEN1KMT2AHTT
SCHEMBL12229617 0.73 ALDH1A1 (0.44) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL6847881 0.71 ALDH1A1 (0.55) SMN1; SMN2RAB9AMEN1KMT2AHTT
SCHEMBL6953041 0.71 PKM (0.57) SMN1; SMN2RAB9AMEN1KMT2AHTT
SCHEMBL6287447 0.71 ALDH1A1 (0.57) SMN1; SMN2RAB9AMEN1KMT2AHTT
SCHEMBL14433783 0.68 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AMEN1KMT2AHTT

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-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