SCHEMBL6963530

SCHEMBL6963530

O=C(NCCc1c(Cl)cccc1Cl)NSc1nc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
LMNA P02545 6/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GCGR P47871 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41

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
SCHEMBL6953495 0.93 CNR1 (0.49) KDM4EKMT2ASMN1; SMN2GCGRHPGD
SCHEMBL6963954 0.91 HTT (0.42) HTTLMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL6958370 0.89 ALDH1A1 (0.48) HTTLMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL6954596 0.87 RAB9A (0.53) HTTLMNAKMT2ASMN1; SMN2HPGD
SCHEMBL8890569 0.84 KMT2A (0.55) LMNAKDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL6959624 0.84 MPO (0.51) HTTLMNASMN1; SMN2GCGR
SCHEMBL6952292 0.84 LMNA (0.53) LMNAKMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL6957950 0.83 LMNA (0.50) HTTLMNAKMT2ASMN1; SMN2GCGR
SCHEMBL6958429 0.83 POLB (0.45) HTTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6964701 0.82 KMT2A (0.43) HTTLMNAKMT2ASMN1; SMN2GCGR

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