SCHEMBL6958388

SCHEMBL6958388

O=C(NCCc1cc(Cl)cc(Cl)c1)NSc1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.51
MAPT P10636 4/20 0.45
CNR1 P21554 1/20 0.44
CSNK1D P48730 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
FBP1 P09467 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6963617 0.92 CSNK1D (0.54) ALOX5MAPTCNR1CSNK1DALDH1A1
SCHEMBL8891824 0.90 MAPT (0.54) ALOX5MAPTCNR1POLBAPEX1
SCHEMBL6961888 0.85 ALOX5 (0.47) ALOX5MAPTCNR1POLBAPEX1
SCHEMBL6955042 0.85 ALOX5 (0.51) ALOX5MAPTPOLBAPEX1RECQL
SCHEMBL6953438 0.83 CNR1 (0.57) ALOX5MAPTCNR1POLBAPEX1
SCHEMBL6959133 0.83 ALOX5 (0.52) ALOX5MAPTCNR1POLBAPEX1
SCHEMBL6964076 0.83 ALOX5 (0.49) ALOX5MAPTCNR1POLBALDH1A1
SCHEMBL6963863 0.83 LTA4H (0.52) ALOX5MAPTCNR1POLBAPEX1
SCHEMBL6963166 0.82 ALOX5 (0.50) ALOX5MAPTCNR1POLBAPEX1
SCHEMBL6958932 0.81 FPR2 (0.51) ALOX5MAPTPOLBGAACYP1A2

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