SCHEMBL6956229

SCHEMBL6956229

COc1cccc(CCNC(=S)Nc2nc3ccccc3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
DHODH Q02127 1/20 0.56
CSNK1D P48730 4/20 0.56
MAPT P10636 8/20 0.52
ADORA3 P0DMS8 2/20 0.52
MAOB P27338 2/20 0.52
ADORA2A P29274 2/20 0.52
ADORA2B P29275 2/20 0.52
ADORA1 P30542 2/20 0.52
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.49
KLF5 Q13887 1/20 0.49
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL6958936 0.88 LMNA (0.57) NPC1RAB9AMEN1KMT2ACSNK1D
SCHEMBL8893941 0.86 MAPT (0.65) NPC1RAB9AMEN1KMT2ACSNK1D
SCHEMBL6964080 0.86 SCD (0.54) NPC1RAB9AMEN1KMT2ACSNK1D
SCHEMBL6951823 0.84 RAB9A (0.64) NPC1RAB9AMEN1KMT2ACSNK1D
SCHEMBL6963623 0.84 CSNK1D (0.66) NPC1RAB9AMEN1KMT2ADHODH
SCHEMBL6963867 0.84 ALDH1A1 (0.54) NPC1RAB9AMEN1KMT2ACSNK1D
SCHEMBL6952703 0.84 NPC1 (0.58) NPC1RAB9AMEN1KMT2ADHODH
SCHEMBL6963999 0.84 NPC1 (0.55) NPC1RAB9AMEN1KMT2ADHODH
SCHEMBL6955046 0.84 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2ACSNK1D
SCHEMBL6955478 0.82 NPC1 (0.47) NPC1RAB9AMEN1KMT2ADHODH

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 6 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
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed