SCHEMBL6954602

SCHEMBL6954602

Fc1cccc(F)c1CCNC(=S)Nc1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
LMNA P02545 3/20 0.54
PKM P14618 3/20 0.54
TP53 P04637 2/20 0.54
GAA P10253 2/20 0.54
RAB9A P51151 9/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46

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
SCHEMBL6953499 0.92 NPC1 (0.51) NPC1LMNAPKMTP53GAA
SCHEMBL6954767 0.90 NPC1 (0.52) NPC1LMNAPKMTP53GAA
SCHEMBL6958433 0.88 NPC1 (0.49) NPC1LMNAPKMTP53GAA
SCHEMBL6957397 0.88 LMNA (0.60) NPC1LMNAPKMTP53GAA
SCHEMBL6956805 0.88 SMN1; SMN2 (0.50) NPC1LMNAPKMTP53GAA
SCHEMBL6965220 0.86 RAB9A (0.54) NPC1LMNAPKMTP53GAA
SCHEMBL6963533 0.86 ALDH1A1 (0.51) NPC1LMNAPKMGAARAB9A
SCHEMBL6958688 0.84 NPC1 (0.48) NPC1LMNAPKMTP53GAA
SCHEMBL6959064 0.84 SMN1; SMN2 (0.48) NPC1LMNAPKMTP53GAA
SCHEMBL6963001 0.83 NPC1 (0.57) NPC1LMNAPKMTP53GAA

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