SCHEMBL6959256

SCHEMBL6959256

S=C(NCCc1cnccn1)Nc1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 1/20 0.48
SCD O00767 1/20 0.46
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MPI P34949 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CSNK1D P48730 2/20 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
SCHEMBL6955339 0.87 KDM4E (0.55) SMN1; SMN2HTTMAPTALDH1A1GAA
SCHEMBL6959480 0.83 MAPT (0.55) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6959315 0.81 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6951823 0.80 RAB9A (0.64) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL6962564 0.76 MAPT (0.67) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL6959560 0.76 MAPT (0.51) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6959138 0.76 RAB9A (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6960716 0.76 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL6953441 0.76 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6961758 0.76 RAB9A (0.56) NPC1RAB9ASMN1; SMN2HTTMAPT

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 4 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-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