SCHEMBL6962436

SCHEMBL6962436

Fc1cc(F)c(F)c(CCNC(=S)Nc2nc(-c3cccnc3)cs2)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 7/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 6/20 0.50
PKM P14618 3/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
GAA P10253 1/20 0.44
VCP P55072 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6962182 0.90 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL6962997 0.86 RAB9A (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL6956833 0.86 MAPT (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL6965748 0.86 KMT2A (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL6957339 0.85 ALDH1A1 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL6952157 0.85 ALDH1A1 (0.67) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL6963589 0.85 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL6964216 0.85 MAPT (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL6964729 0.84 ALDH1A1 (0.57) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL6958978 0.84 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1HTT

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