SCHEMBL6955339

SCHEMBL6955339

S=C(NCCc1ccccn1)Nc1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 5/20 0.54
ALDH1A1 P00352 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 2/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 2/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 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
SCHEMBL6959480 0.89 MAPT (0.55) SMN1; SMN2MAPTALDH1A1NPSR1LMNA
SCHEMBL6959256 0.87 NPC1 (0.54) SMN1; SMN2HTTMAPTALDH1A1NPSR1
SCHEMBL6959315 0.86 ALDH1A1 (0.49) SMN1; SMN2MAPTALDH1A1NPSR1LMNA
SCHEMBL6951823 0.83 RAB9A (0.64) KDM4ESMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL14394876 0.81 NPC1 (0.65) KDM4ESMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL6953441 0.79 ALDH1A1 (0.51) KDM4ESMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL6962564 0.79 MAPT (0.67) SMN1; SMN2HTTMAPTALDH1A1NPSR1
SCHEMBL6959138 0.79 RAB9A (0.56) SMN1; SMN2MAPTALDH1A1NPSR1LMNA
SCHEMBL6961758 0.79 RAB9A (0.56) KDM4ESMN1; SMN2HTTMAPTALDH1A1
SCHEMBL6960716 0.79 ALDH1A1 (0.51) KDM4ESMN1; SMN2HTTMAPTALDH1A1

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