SCHEMBL6963617

SCHEMBL6963617

O=C(NCCc1cccc(Cl)c1)NSc1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.54
ALOX5 P09917 2/20 0.49
CNR1 P21554 1/20 0.48
CCR3 P51677 1/20 0.48
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL6958388 0.92 ALOX5 (0.51) CSNK1DALOX5CNR1KMT2AALDH1A1
SCHEMBL8891824 0.88 MAPT (0.54) ALOX5CNR1CCR3KMT2AALDH1A1
SCHEMBL6963863 0.88 LTA4H (0.52) ALOX5CNR1KMT2AALDH1A1MEN1
SCHEMBL6964076 0.88 ALOX5 (0.49) ALOX5CNR1KMT2AALDH1A1NPC1
SCHEMBL6955042 0.85 ALOX5 (0.51) ALOX5KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6956223 0.85 MAPT (0.49) ALOX5CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL6959133 0.84 ALOX5 (0.52) ALOX5CNR1KMT2AALDH1A1MEN1
SCHEMBL6953438 0.82 CNR1 (0.57) ALOX5CNR1KMT2AALDH1A1MEN1
SCHEMBL6961888 0.82 ALOX5 (0.47) ALOX5CNR1KMT2AALDH1A1MEN1
SCHEMBL6963166 0.80 ALOX5 (0.50) ALOX5CNR1KMT2AALDH1A1MEN1

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