SCHEMBL6957397

SCHEMBL6957397

Fc1ccccc1CCNC(=S)Nc1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
NPC1 O15118 8/20 0.54
PKM P14618 3/20 0.54
GAA P10253 3/20 0.54
TP53 P04637 3/20 0.54
RAB9A P51151 8/20 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
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.48
MAOB P27338 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
SCHEMBL6954602 0.88 NPC1 (0.54) LMNANPC1PKMGAATP53
SCHEMBL6954446 0.87 LMNA (0.48) LMNANPC1PKMGAATP53
SCHEMBL6958372 0.86 ALDH1A1 (0.60) LMNANPC1PKMGAARAB9A
SCHEMBL6958138 0.86 NPC1 (0.48) LMNANPC1PKMGAATP53
SCHEMBL6958433 0.84 NPC1 (0.49) LMNANPC1PKMGAATP53
SCHEMBL6953499 0.83 NPC1 (0.51) LMNANPC1PKMGAATP53
SCHEMBL6952280 0.83 RAB9A (0.66) LMNANPC1PKMGAATP53
SCHEMBL6956095 0.83 ALDH1A1 (0.60) LMNANPC1PKMGAATP53
SCHEMBL6953252 0.81 ALDH1A1 (0.49) LMNANPC1PKMGAATP53
SCHEMBL6961542 0.81 SMN1; SMN2 (0.54) LMNANPC1PKMTP53RAB9A

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