SCHEMBL6955550

SCHEMBL6955550

COc1ccc(F)c(CCNC(=S)Nc2nccs2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 4/20 0.45
MAPK1 P28482 3/20 0.45
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
GAA P10253 4/20 0.44
ALDH1A1 P00352 4/20 0.44
NFKB1 P19838 2/20 0.44
HTT P42858 2/20 0.44
AGTR1 P30556 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KCNMA1 Q12791 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL6964401 0.91 ALDH1A1 (0.46) KDM4ESMN1; SMN2LMNAMAPK1RAB9A
SCHEMBL6959893 0.87 NPC1 (0.47) KDM4ESMN1; SMN2LMNAMAPK1RAB9A
SCHEMBL6963817 0.83 KDM4E (0.51) KDM4ESMN1; SMN2LMNAMAPK1RAB9A
SCHEMBL6961866 0.82 NPC1 (0.55) KDM4ESMN1; SMN2LMNAMAPK1RAB9A
SCHEMBL6954481 0.81 KDM4E (0.44) KDM4ESMN1; SMN2LMNAMAPK1RAB9A
SCHEMBL6959457 0.80 MAPK1 (0.48) KDM4ESMN1; SMN2LMNAMAPK1RAB9A
SCHEMBL6957993 0.80 POLB (0.57) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL6951981 0.79 NPC1 (0.48) KDM4ESMN1; SMN2LMNAMAPK1RAB9A
SCHEMBL6965853 0.79 KMT2A (0.41) SMN1; SMN2LMNAGAAALDH1A1HTT
SCHEMBL6953979 0.78 NPC1 (0.51) KDM4ESMN1; SMN2LMNAMAPK1RAB9A

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