SCHEMBL6959480

SCHEMBL6959480

S=C(NCCc1ncccn1)Nc1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 6/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 10/20 0.51
RAB9A P51151 9/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
POLB P06746 2/20 0.51
MPI P34949 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
CSNK1D P48730 3/20 0.49
MEN1 O00255 3/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48

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 0.89 KDM4E (0.55) MAPTALDH1A1GAAKMT2ALMNA
SCHEMBL6951823 0.86 RAB9A (0.64) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL6959256 0.83 NPC1 (0.54) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL6959315 0.82 ALDH1A1 (0.49) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL6953441 0.81 ALDH1A1 (0.51) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL6959138 0.81 RAB9A (0.56) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL6959560 0.81 MAPT (0.51) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL6961758 0.81 RAB9A (0.56) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL6962564 0.81 MAPT (0.67) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL6960716 0.81 ALDH1A1 (0.51) MAPTALDH1A1GAANPC1RAB9A

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 5 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
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed