SCHEMBL6955649

SCHEMBL6955649

S=C(NCCc1ccccc1)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 1.00
KMT2A Q03164 10/20 1.00
MEN1 O00255 9/20 1.00
SMN1; SMN2 Q16637 8/20 1.00
LMNA P02545 7/20 0.83
ALDH1A1 P00352 6/20 0.83
HTT P42858 4/20 0.83
RAB9A P51151 4/20 0.79
NPC1 O15118 3/20 0.79
MAOA P21397 2/20 0.79
MAOB P27338 2/20 0.79
MAPK1 P28482 2/20 0.75
GAA P10253 1/20 0.75
ALOX12 P18054 5/20 0.74
NPSR1 Q6W5P4 2/20 0.72
CNR1 P21554 1/20 0.68
HSP90AA1 P07900 1/20 0.65
XBP1 P17861 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65

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
SCHEMBL1520437 0.89 RAB9A (1.00) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6516283 0.87 KMT2A (0.88) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL9530086 0.86 MAPT (0.76) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8615629 0.86 RAB9A (0.81) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL7573221 0.85 MAPT (0.74) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6815628 0.84 RAB9A (0.79) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL28257929 0.84 RAB9A (0.79) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL14560608 0.84 MAPT (1.00) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6965791 0.84 LMNA (0.74) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL14612489 0.83 RAB9A (0.77) MAPTKMT2AMEN1SMN1; SMN2LMNA

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