SCHEMBL6959149

SCHEMBL6959149

S=C(NCCCc1ccccc1)Nc1nccs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 5/20 0.58
LMNA P02545 5/20 0.58
RAB9A P51151 4/20 0.58
MEN1 O00255 2/20 0.58
HTT P42858 2/20 0.58
GAA P10253 2/20 0.58
NPC1 O15118 2/20 0.58
MAPK1 P28482 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
PKM P14618 1/20 0.58
NFKB1 P19838 1/20 0.58
CYP2C19 P33261 1/20 0.58
THPO P40225 1/20 0.58
MTOR P42345 1/20 0.58

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
SCHEMBL1520344 0.92 SMN1; SMN2 (0.71) SMN1; SMN2L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL5455503 0.83 KDM4E (0.70) SMN1; SMN2L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL6953453 0.81 NPC1 (0.50) SMN1; SMN2L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL6280318 0.80 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL6284717 0.79 KDM4E (0.57) SMN1; SMN2L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL31060951 0.79 ALDH1A1 (0.60) SMN1; SMN2L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL6956252 0.79 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AALDH1A1LMNARAB9A
SCHEMBL29356264 0.79 GAA (0.63) SMN1; SMN2L3MBTL1KMT2AALDH1A1LMNA
SCHEMBL29886718 0.79 HPGD (0.58) SMN1; SMN2L3MBTL1LMNAKDM4EUSP2
SCHEMBL1520353 0.78 GLA (0.60) SMN1; SMN2KMT2AALDH1A1LMNARAB9A

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