SCHEMBL6955337

SCHEMBL6955337

O=C(NCCc1ccccn1)NSc1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.52
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CNR1 P21554 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
CASP3 P42574 1/20 0.45
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6959251 0.88 ALOX5 (0.49) ALOX5HPGDHSD17B10L3MBTL1POLB
SCHEMBL6959312 0.87 ALOX5 (0.50) ALOX5HPGDHSD17B10L3MBTL1POLB
SCHEMBL6962860 0.80 ALOX5 (0.52) ALOX5HPGDHSD17B10CNR1L3MBTL1
SCHEMBL6953438 0.80 CNR1 (0.57) ALOX5HPGDHSD17B10CNR1L3MBTL1
SCHEMBL6961755 0.80 ALOX5 (0.52) ALOX5HPGDHSD17B10L3MBTL1POLB
SCHEMBL6959133 0.80 ALOX5 (0.52) ALOX5HPGDHSD17B10CNR1L3MBTL1
SCHEMBL8891824 0.80 MAPT (0.54) ALOX5CNR1POLBAPEX1RECQL
SCHEMBL6959559 0.80 ALOX5 (0.52) ALOX5L3MBTL1POLBAPEX1RECQL
SCHEMBL6955042 0.79 ALOX5 (0.51) ALOX5HPGDL3MBTL1POLBAPEX1
SCHEMBL6958388 0.79 ALOX5 (0.51) ALOX5CNR1L3MBTL1POLBAPEX1

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-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