SCHEMBL6964844

SCHEMBL6964844

O=C(NCCc1c(F)c(F)cc(F)c1F)NSc1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.50
POLB P06746 3/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
MAPK1 P28482 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
CYP2C9 P11712 1/20 0.41
STAT6 P42226 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 3/20 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
SCHEMBL6961755 0.89 ALOX5 (0.52) ALOX5POLBAPEX1RECQLALDH1A1
SCHEMBL6959353 0.85 ALOX5 (0.44) ALOX5ALDH1A1KMT2AMAPTNPC1
SCHEMBL6955473 0.85 ALOX5 (0.46) ALOX5POLBALDH1A1KMT2AL3MBTL1
SCHEMBL6962860 0.85 ALOX5 (0.52) ALOX5POLBAPEX1RECQLALDH1A1
SCHEMBL6955391 0.85 RAB9A (0.53) ALOX5POLBAPEX1RECQLALDH1A1
SCHEMBL6963529 0.85 ALOX5 (0.44) ALOX5ALDH1A1KMT2AMAPTNPC1
SCHEMBL6964127 0.84 ALOX5 (0.49) ALOX5POLBAPEX1RECQLALDH1A1
SCHEMBL6963479 0.84 ALOX5 (0.45) ALOX5RECQLALDH1A1KMT2AMAPT
SCHEMBL6954427 0.83 ALOX5 (0.44) ALOX5POLBALDH1A1KMT2AMAPT
SCHEMBL8685472 0.83 ALOX5 (0.46) ALOX5POLBRECQLALDH1A1KMT2A

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