SCHEMBL6963643

SCHEMBL6963643

S=C(NCCN1CCOCC1)Nc1nccs1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
KDM4E B2RXH2 3/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 3/20 0.53
MAPT P10636 1/20 0.52
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
NPC1 O15118 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 2/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL6312404 0.87 ACHE (0.47) LMNAKDM4EKMT2ASMN1; SMN2GAA
SCHEMBL11224576 0.85 CASR (0.55) LMNAKDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL6966188 0.85 HSD17B10 (0.48) LMNAKDM4EKMT2ASMN1; SMN2GAA
SCHEMBL23647320 0.80 CASR (0.46) LMNAKDM4EKMT2AGAAMAPT
SCHEMBL7130164 0.74 SMN1; SMN2 (0.68) LMNAKMT2ASMN1; SMN2GAAMAPT
SCHEMBL31478747 0.73 MAPT (0.58) LMNAKMT2ASMN1; SMN2GAAMAPT
SCHEMBL11306755 0.73 SMN1; SMN2 (0.55) KDM4ESMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL6955316 0.72 RAB9A (0.52) LMNAKDM4EKMT2ASMN1; SMN2GAA
SCHEMBL5451782 0.72 GAA (0.90) LMNAKDM4EKMT2ASMN1; SMN2GAA
SCHEMBL11319195 0.72 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2MAPTALDH1A1NPC1

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