SCHEMBL6957950

SCHEMBL6957950

O=C(NCCc1cc(Cl)cc(Cl)c1)NSc1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
RECQL P46063 1/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
KCNH2 Q12809 1/20 0.45
CNR1 P21554 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 1/20 0.41
GCGR P47871 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
SCHEMBL6952292 0.92 LMNA (0.53) LMNARECQLKMT2ASMN1; SMN2CNR1
SCHEMBL8890569 0.90 KMT2A (0.55) LMNARECQLKMT2ASMN1; SMN2CNR1
SCHEMBL6964701 0.85 KMT2A (0.43) LMNARECQLKMT2ASMN1; SMN2KCNH2
SCHEMBL6950919 0.85 LMNA (0.45) LMNARECQLKMT2ASMN1; SMN2HPGD
SCHEMBL6963530 0.83 HTT (0.44) LMNAKMT2ASMN1; SMN2HPGDHTT
SCHEMBL6958370 0.83 ALDH1A1 (0.48) LMNAKMT2ASMN1; SMN2CNR1HTT
SCHEMBL6962998 0.83 NPC1 (0.47) LMNARECQLKMT2ASMN1; SMN2CNR1
SCHEMBL6964188 0.83 MPO (0.51) LMNARECQLKMT2ASMN1; SMN2CNR1
SCHEMBL6963954 0.82 HTT (0.42) LMNAKMT2ASMN1; SMN2HPGDHTT
SCHEMBL6957933 0.81 KMT2A (0.56) LMNAKMT2ASMN1; SMN2NPC1RAB9A

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