SCHEMBL6962997

SCHEMBL6962997

CCOc1cc(F)c(CCNC(=S)Nc2nc(-c3cccnc3)cs2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 7/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
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

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
SCHEMBL6956833 0.91 MAPT (0.56) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL6958978 0.87 SMN1; SMN2 (0.50) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL6963589 0.86 SMN1; SMN2 (0.47) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL6962436 0.86 SMN1; SMN2 (0.53) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL6962182 0.86 SMN1; SMN2 (0.57) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL6964354 0.84 MAPT (0.53) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6952011 0.82 RAB9A (0.51) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL6962357 0.81 SMN1; SMN2 (0.62) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL6964216 0.81 MAPT (0.51) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL6965748 0.80 KMT2A (0.52) RAB9AKMT2ANPC1MEN1MAPT

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