SCHEMBL6963250

SCHEMBL6963250

Cc1ccccc1CCNC(=S)Nc1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 6/20 0.50
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 3/20 0.47
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL6965203 0.85 MEN1 (0.47) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6956364 0.85 KDM4E (0.48) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6965019 0.84 GAA (0.50) ALOX12KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6952393 0.83 MAPK1 (0.50) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6960260 0.82 RAB9A (0.60) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6959066 0.80 KDM4E (0.60) MAPTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL6952755 0.79 ALDH1A1 (0.43) ALOX12MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL6958138 0.78 NPC1 (0.48) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6958110 0.78 ALOX12 (0.52) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6958174 0.78 ALDH1A1 (0.67) ALOX12MAPTKMT2AMEN1ALDH1A1

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