SCHEMBL6964127

SCHEMBL6964127

O=C(NCCc1ccc(F)c(F)c1F)NSc1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.49
LTA4H P09960 2/20 0.43
EPHX2 P34913 2/20 0.43
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL6962860 0.88 ALOX5 (0.52) ALOX5LTA4HEPHX2POLBAPEX1
SCHEMBL6964844 0.84 ALOX5 (0.50) ALOX5LTA4HEPHX2POLBAPEX1
SCHEMBL6961755 0.84 ALOX5 (0.52) ALOX5LTA4HEPHX2POLBAPEX1
SCHEMBL6953438 0.82 CNR1 (0.57) ALOX5POLBAPEX1RECQLALDH1A1
SCHEMBL6959559 0.82 ALOX5 (0.52) ALOX5POLBAPEX1RECQLALDH1A1
SCHEMBL6954427 0.81 ALOX5 (0.44) ALOX5POLBALDH1A1MAPTKMT2A
SCHEMBL6963529 0.80 ALOX5 (0.44) ALOX5ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL8891824 0.80 MAPT (0.54) ALOX5POLBAPEX1RECQLALDH1A1
SCHEMBL6955391 0.80 RAB9A (0.53) ALOX5LTA4HEPHX2POLBAPEX1
SCHEMBL6961888 0.80 ALOX5 (0.47) ALOX5POLBAPEX1RECQLALDH1A1

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