SCHEMBL6958978

SCHEMBL6958978

CCOc1cccc(F)c1CCNC(=S)Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 7/20 0.48
NPC1 O15118 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 6/20 0.45
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL6952011 0.91 RAB9A (0.51) SMN1; SMN2TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL6963589 0.91 SMN1; SMN2 (0.47) SMN1; SMN2TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL6962182 0.89 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EALDH1A1HTTRAB9A
SCHEMBL6962997 0.87 RAB9A (0.53) SMN1; SMN2TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL6962357 0.86 SMN1; SMN2 (0.62) SMN1; SMN2TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL6965748 0.85 KMT2A (0.52) SMN1; SMN2ALDH1A1HTTRAB9ANPC1
SCHEMBL6964176 0.85 NPC1 (0.55) SMN1; SMN2TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL6962154 0.85 MAPT (0.51) SMN1; SMN2KDM4EALDH1A1HTTRAB9A
SCHEMBL6962436 0.84 SMN1; SMN2 (0.53) SMN1; SMN2TDP1KDM4EALDH1A1HTT
SCHEMBL6964216 0.84 MAPT (0.51) SMN1; SMN2TDP1L3MBTL1KDM4EALDH1A1

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