SCHEMBL6958732

SCHEMBL6958732

COc1ccccc1CCNC(=S)Nc1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 6/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
PKM P14618 1/20 0.54
PAX8 Q06710 1/20 0.54
CSNK1D P48730 7/20 0.49
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
NFKB1 P19838 1/20 0.48
MPI P34949 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL6953898 0.89 ALDH1A1 (0.52) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL6963456 0.89 NPC1 (0.54) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL6963999 0.89 NPC1 (0.55) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL6952703 0.89 NPC1 (0.58) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL6959560 0.85 MAPT (0.51) NPC1RAB9AL3MBTL1CSNK1DALDH1A1
SCHEMBL6954972 0.84 RAB9A (0.49) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL6960716 0.83 ALDH1A1 (0.51) NPC1RAB9AL3MBTL1CSNK1DKDM4E
SCHEMBL6953441 0.83 ALDH1A1 (0.51) NPC1RAB9AL3MBTL1CSNK1DKDM4E
SCHEMBL6958936 0.82 LMNA (0.57) NPC1RAB9ACSNK1DKDM4EALDH1A1
SCHEMBL6954430 0.81 L3MBTL1 (0.46) NPC1RAB9AL3MBTL1PKMPAX8

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