SCHEMBL6958110

SCHEMBL6958110

Cc1cccc(CCNC(=S)Nc2ncc[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 6/20 0.52
MAPT P10636 4/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 8/20 0.47
LMNA P02545 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
PKM P14618 2/20 0.46
HPGD P15428 3/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
CNR1 P21554 1/20 0.43
QPCT Q16769 1/20 0.42
NR3C2 P08235 1/20 0.41
NPC1 O15118 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL6964723 0.86 ALDH1A1 (0.54) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6963917 0.86 RAB9A (0.56) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6958569 0.85 GAA (0.52) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL6960260 0.85 RAB9A (0.60) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6958534 0.81 ALDH1A1 (0.45) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6964189 0.78 MEN1 (0.50) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6964988 0.78 ALDH1A1 (0.74) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6963250 0.78 ALOX12 (0.50) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6957676 0.78 MAPT (0.46) ALOX12MAPTKMT2AMEN1ALDH1A1
SCHEMBL6959831 0.77 LMNA (0.62) 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 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-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 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