SCHEMBL6963589

SCHEMBL6963589

CCOc1ccc(F)c(CCNC(=S)Nc2nc(-c3cccnc3)cs2)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 7/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
ESR2 Q92731 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
SCHEMBL6964216 0.92 MAPT (0.51) SMN1; SMN2TDP1KDM4EL3MBTL1RAB9A
SCHEMBL6958978 0.91 SMN1; SMN2 (0.50) SMN1; SMN2TDP1KDM4EL3MBTL1RAB9A
SCHEMBL6962997 0.86 RAB9A (0.53) SMN1; SMN2TDP1KDM4EL3MBTL1RAB9A
SCHEMBL6962436 0.85 SMN1; SMN2 (0.53) SMN1; SMN2TDP1KDM4ERAB9ANPC1
SCHEMBL6962182 0.85 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ERAB9ANPC1KMT2A
SCHEMBL6959709 0.84 MAPT (0.49) SMN1; SMN2KDM4ERAB9AKMT2AMEN1
SCHEMBL6952011 0.84 RAB9A (0.51) SMN1; SMN2TDP1KDM4EL3MBTL1RAB9A
SCHEMBL6962357 0.84 SMN1; SMN2 (0.62) SMN1; SMN2TDP1KDM4EL3MBTL1RAB9A
SCHEMBL6956833 0.81 MAPT (0.56) SMN1; SMN2TDP1KDM4EL3MBTL1RAB9A
SCHEMBL6965748 0.81 KMT2A (0.52) SMN1; SMN2RAB9ANPC1KMT2AMEN1

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-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