SCHEMBL6964868

SCHEMBL6964868

S=C(NCCc1cccnn1)Nc1nccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
NFKB1 P19838 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49

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
SCHEMBL6956252 0.85 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL1520344 0.79 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL6953393 0.79 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL6958151 0.78 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL6964989 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL6957683 0.77 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1RAB9AHTTNPSR1
SCHEMBL6959315 0.76 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1NPC1RAB9ANPSR1
SCHEMBL6961866 0.76 NPC1 (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL29353571 0.76 RAB9A (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL6957663 0.76 RAB9A (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AHTT

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