SCHEMBL6957129

SCHEMBL6957129

S=C(NCCc1ccc2ccccc2c1)Nc1nccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 9/20 0.51
NPC1 O15118 8/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 8/20 0.50
NFKB1 P19838 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.50
PKM P14618 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL1520725 0.88 NPC1 (0.53) SMN1; SMN2L3MBTL1RAB9ANPC1MEN1
SCHEMBL1520344 0.85 SMN1; SMN2 (0.71) SMN1; SMN2L3MBTL1RAB9ANPC1MEN1
SCHEMBL6958155 0.82 KDM4E (0.49) SMN1; SMN2L3MBTL1RAB9ANPC1MEN1
SCHEMBL6280318 0.81 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1RAB9ANPC1MEN1
SCHEMBL6963378 0.81 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1RAB9ANPC1MEN1
SCHEMBL6964163 0.81 ALDH1A1 (0.54) SMN1; SMN2L3MBTL1RAB9ANPC1MEN1
SCHEMBL29355435 0.81 ALDH1A1 (0.54) SMN1; SMN2L3MBTL1RAB9ANPC1MEN1
SCHEMBL6965016 0.81 NPC1 (0.56) SMN1; SMN2L3MBTL1RAB9ANPC1MEN1
SCHEMBL6963302 0.81 KDM4E (0.53) SMN1; SMN2L3MBTL1NPC1MEN1KMT2A
SCHEMBL29352033 0.81 KDM4E (0.53) SMN1; SMN2L3MBTL1NPC1MEN1KMT2A

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