SCHEMBL6958345

SCHEMBL6958345

O=[N+]([O-])C(Cc1ccccc1)NC(=S)Nc1nccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 2/20 0.51
HTT P42858 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
THPO P40225 1/20 0.51
MTOR P42345 1/20 0.51
BLM P54132 1/20 0.51

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
SCHEMBL8687284 0.81 RAB9A (0.58) LMNAPKMSMN1; SMN2NPC1CYP1A2
SCHEMBL6960135 0.80 HSPA1A (0.60) LMNAPKMSMN1; SMN2NPC1CYP1A2
SCHEMBL6960139 0.80 HSPA1A (0.60) LMNAPKMSMN1; SMN2NPC1CYP1A2
SCHEMBL6963164 0.79 NPC1 (0.56) LMNAPKMSMN1; SMN2NPC1CYP1A2
SCHEMBL6952330 0.79 PKM (0.57) LMNAPKMSMN1; SMN2NPC1CYP1A2
SCHEMBL6952333 0.79 PKM (0.57) LMNAPKMSMN1; SMN2NPC1CYP1A2
SCHEMBL6284442 0.72 NPC1 (0.57) LMNAPKMSMN1; SMN2NPC1CYP1A2
SCHEMBL5455503 0.72 KDM4E (0.70) LMNAPKMSMN1; SMN2NPC1CYP1A2
SCHEMBL1520344 0.70 SMN1; SMN2 (0.71) LMNAPKMSMN1; SMN2NPC1CYP1A2
SCHEMBL26502086 0.70 PKM (0.65) LMNAPKMSMN1; SMN2NPC1CYP1A2

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-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 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