SCHEMBL7922643

SCHEMBL7922643

NC=S.O=C(Cn1nnc(-c2cccc(Cl)c2Cl)n1)NNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TASP1 Q9H6P5 1/20 0.62
MAPT P10636 5/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
BCL2 P10415 1/20 0.41
BID P55957 1/20 0.41

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
SCHEMBL7922259 0.88 TASP1 (0.61) TASP1MAPTTP53HPGDNPC1
SCHEMBL7920494 0.87 TASP1 (0.56) TASP1MAPTTP53HPGDNPC1
SCHEMBL7922258 0.85 MAPT (0.48) TASP1MAPTTP53HPGDNPC1
SCHEMBL10069515 0.84 TASP1 (0.85) TASP1MAPTTP53HPGDNPC1
SCHEMBL7920537 0.77 MAPT (0.46) TASP1MAPTTP53HPGDNPC1
SCHEMBL10068891 0.76 TASP1 (1.00) TASP1MAPTTP53HPGDNPC1
SCHEMBL14096399 0.72 TASP1 (0.64) TASP1MAPTTP53HPGDNPC1
SCHEMBL14096381 0.71 TASP1 (0.60) TASP1MAPTTP53HPGDNPC1
SCHEMBL7922641 0.70 MAPT (0.61) MAPTTP53MEN1KMT2AMAPK1
SCHEMBL1062494 0.69 TASP1 (0.48) TASP1MAPTTP53HPGDNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100500-A1 THE USE OF CD4-BINDING SMALL MOLECULES TO INHIBIT HIV INFECTION THOMAS JEFFERSON UNIVERSITY (US) 2001-05-23 EP claimed
WO-2000004903-A1 THE USE OF CD4-BINDING SMALL MOLECULES TO INHIBIT HIV INFECTION THOMAS JEFFERSON UNIVERSITY (US) 2000-02-03 WO claimed