SCHEMBL6959672

SCHEMBL6959672

S=C(NCCc1ccccc1)Nc1ccncc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.79
NPC1 O15118 2/20 0.79
MAOA P21397 2/20 0.79
MAOB P27338 2/20 0.79
BCL6 P41182 1/20 0.72
MAPT P10636 6/20 0.70
KMT2A Q03164 5/20 0.70
ALDH1A1 P00352 5/20 0.70
LMNA P02545 4/20 0.70
MEN1 O00255 3/20 0.70
GAA P10253 1/20 0.70
MAPK1 P28482 1/20 0.70
SMN1; SMN2 Q16637 4/20 0.68
CA9 Q16790 1/20 0.63
ALOX12 P18054 1/20 0.62
HTT P42858 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
DUSP3 P51452 1/20 0.60
PTPN11 Q06124 1/20 0.60

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
SCHEMBL19420177 0.94 RAB9A (0.79) RAB9ANPC1MAOAMAOBBCL6
SCHEMBL1520437 0.89 RAB9A (1.00) RAB9ANPC1MAOAMAOBBCL6
SCHEMBL7904143 0.88 KMT2A (0.71) RAB9ANPC1MAOAMAOBBCL6
SCHEMBL7901763 0.88 KMT2A (0.71) RAB9ANPC1MAOAMAOBBCL6
SCHEMBL8615629 0.83 RAB9A (0.81) RAB9ANPC1MAOAMAOBBCL6
SCHEMBL6815628 0.81 RAB9A (0.79) RAB9ANPC1MAOAMAOBBCL6
SCHEMBL14560608 0.81 MAPT (1.00) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL6955649 0.81 MAPT (1.00) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28257929 0.81 RAB9A (0.79) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL14612489 0.80 RAB9A (0.77) RAB9ANPC1MAOAMAOBMAPT

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