SCHEMBL6959236

SCHEMBL6959236

S=C(Nc1nc(-c2cccnc2)cs1)NC1CC1c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MAPT P10636 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 3/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 4/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.44
VCP P55072 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
SCHEMBL6958612 0.83 KMT2A (0.56) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL6953879 0.77 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6953875 0.77 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6958997 0.74 POLB (0.54) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18997302 0.74 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6962449 0.74 NPC1 (0.49) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6962444 0.74 NPC1 (0.49) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6958678 0.72 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6958684 0.72 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6962605 0.72 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A

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