SCHEMBL6954059

SCHEMBL6954059

COc1ccc(Br)cc1CCNC(=S)Nc1nccs1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.43
KCNMA1 Q12791 1/20 0.43
TSHR P16473 1/20 0.42
BRD4 O60885 1/20 0.41
NPC1 O15118 2/20 0.40

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
SCHEMBL6952326 0.91 ALDH1A1 (0.48) KDM4ELMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL6953591 0.88 KDM4E (0.53) KDM4ELMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL29350690 0.84 NPC1 (0.51) KDM4ELMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL6953979 0.84 NPC1 (0.51) KDM4ELMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL6957303 0.82 KDM4E (0.50) KDM4ELMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL6963817 0.79 KDM4E (0.51) KDM4ELMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL8683561 0.78 KDM4E (0.67) KDM4ELMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL6955550 0.77 KDM4E (0.49) KDM4ELMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL6954939 0.76 KDM4E (0.65) KDM4ELMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL6961594 0.76 RAB9A (0.54) KDM4ELMNASMN1; SMN2MAPK1ALDH1A1

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