SCHEMBL6963954

SCHEMBL6963954

O=C(NCCc1c(Cl)ccc(Cl)c1Cl)NSc1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 5/20 0.41
GCGR P47871 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6963530 0.91 HTT (0.44) HTTKMT2ASMN1; SMN2LMNAGCGR
SCHEMBL6953495 0.87 CNR1 (0.49) KMT2ASMN1; SMN2GCGRMAPTMAPK1
SCHEMBL6958370 0.85 ALDH1A1 (0.48) HTTKMT2ASMN1; SMN2LMNAGCGR
SCHEMBL6964701 0.85 KMT2A (0.43) HTTKMT2ASMN1; SMN2LMNAGCGR
SCHEMBL8890569 0.83 KMT2A (0.55) KMT2ASMN1; SMN2LMNAHPGDKDM4E
SCHEMBL6954596 0.83 RAB9A (0.53) HTTKMT2ASMN1; SMN2LMNAMAPT
SCHEMBL6957950 0.82 LMNA (0.50) HTTKMT2ASMN1; SMN2LMNAGCGR
SCHEMBL6958429 0.81 POLB (0.45) HTTKMT2ASMN1; SMN2LMNAMAPT
SCHEMBL6952292 0.80 LMNA (0.53) KMT2ASMN1; SMN2LMNAMAPTHPGD
SCHEMBL6959624 0.80 MPO (0.51) HTTSMN1; SMN2LMNAGCGRMAPT

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