SCHEMBL6962444

SCHEMBL6962444

S=C(Nc1nc2ccccc2s1)N[C@@H]1C[C@@H]1c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.49
RAB9A P51151 9/20 0.49
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
MAPT P10636 5/20 0.49
GAA P10253 2/20 0.49
ITK Q08881 2/20 0.48
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
MPI P34949 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL6962449 1.00 NPC1 (0.49) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6962595 0.85 ALDH1A1 (0.52) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6953879 0.80 SMN1; SMN2 (0.51) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6953875 0.80 SMN1; SMN2 (0.51) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6958678 0.78 ALDH1A1 (0.62) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6958684 0.78 ALDH1A1 (0.62) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6959941 0.76 NPC1 (0.46) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6959944 0.76 NPC1 (0.46) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6959236 0.74 ALDH1A1 (0.52) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6962994 0.73 ALDH1A1 (0.40) NPC1RAB9AALDH1A1KMT2AMAPT

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