SCHEMBL6958433

SCHEMBL6958433

Fc1cc(F)c(F)c(CCNC(=S)Nc2nc3ccccc3[nH]2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
PKM P14618 3/20 0.49
LMNA P02545 3/20 0.49
TP53 P04637 2/20 0.49
GAA P10253 2/20 0.49
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
MAOB P27338 1/20 0.44
ADORA2A P29274 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
SCHEMBL6954602 0.88 NPC1 (0.54) NPC1PKMLMNATP53GAA
SCHEMBL6959064 0.84 SMN1; SMN2 (0.48) NPC1PKMLMNATP53GAA
SCHEMBL6965220 0.84 RAB9A (0.54) NPC1PKMLMNATP53GAA
SCHEMBL6957397 0.84 LMNA (0.60) NPC1PKMLMNATP53GAA
SCHEMBL6953499 0.84 NPC1 (0.51) NPC1PKMLMNATP53GAA
SCHEMBL6954446 0.83 LMNA (0.48) NPC1PKMLMNATP53GAA
SCHEMBL6952902 0.83 SMN1; SMN2 (0.52) NPC1PKMLMNATP53GAA
SCHEMBL6958688 0.82 NPC1 (0.48) NPC1PKMLMNATP53GAA
SCHEMBL6956805 0.81 SMN1; SMN2 (0.50) NPC1PKMLMNATP53GAA
SCHEMBL6963533 0.81 ALDH1A1 (0.51) NPC1PKMLMNAGAARAB9A

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