SCHEMBL6964401

SCHEMBL6964401

CCOc1ccc(F)c(CCNC(=S)Nc2nccs2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 4/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
GAA P10253 4/20 0.43
HTT P42858 3/20 0.43
NFKB1 P19838 2/20 0.43
AGTR1 P30556 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PKM P14618 5/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL6955550 0.91 KDM4E (0.49) ALDH1A1POLBMAPK1SMN1; SMN2RAB9A
SCHEMBL6959457 0.88 MAPK1 (0.48) ALDH1A1POLBMAPK1ALOX15SMN1; SMN2
SCHEMBL6950496 0.82 RAB9A (0.45) ALDH1A1POLBMAPK1ALOX15SMN1; SMN2
SCHEMBL6961866 0.81 NPC1 (0.55) ALDH1A1MAPK1ALOX15SMN1; SMN2RAB9A
SCHEMBL6951981 0.81 NPC1 (0.48) ALDH1A1POLBMAPK1ALOX15SMN1; SMN2
SCHEMBL6959893 0.80 NPC1 (0.47) ALDH1A1POLBMAPK1SMN1; SMN2RAB9A
SCHEMBL6959599 0.80 ALDH1A1 (0.54) ALDH1A1POLBMAPK1SMN1; SMN2RAB9A
SCHEMBL6963535 0.79 MAPT (0.49) ALDH1A1POLBMAPK1SMN1; SMN2RAB9A
SCHEMBL6950698 0.79 KMT2A (0.42) ALDH1A1POLBMAPK1GAAHTT
SCHEMBL6954659 0.78 MAPK1 (0.55) ALDH1A1POLBMAPK1ALOX15SMN1; SMN2

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-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