SCHEMBL6959559

SCHEMBL6959559

Cc1ccccc1CCNC(=O)NSc1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.52
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 3/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
MAOB P27338 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
SCHEMBL6953438 0.87 CNR1 (0.57) ALOX5SMN1; SMN2POLBMAPTALDH1A1
SCHEMBL6962860 0.87 ALOX5 (0.52) ALOX5SMN1; SMN2POLBMAPTALDH1A1
SCHEMBL6962415 0.86 MTNR1A (0.50) ALOX5LMNASMN1; SMN2POLBMAPT
SCHEMBL6953893 0.85 ALOX5 (0.48) ALOX5LMNASMN1; SMN2POLBMAPT
SCHEMBL6964127 0.82 ALOX5 (0.49) ALOX5SMN1; SMN2POLBMAPTALDH1A1
SCHEMBL6964076 0.82 ALOX5 (0.49) ALOX5POLBMAPTALDH1A1KMT2A
SCHEMBL6961888 0.80 ALOX5 (0.47) ALOX5POLBMAPTALDH1A1KMT2A
SCHEMBL8891824 0.80 MAPT (0.54) ALOX5LMNASMN1; SMN2POLBMAPT
SCHEMBL6959133 0.80 ALOX5 (0.52) ALOX5SMN1; SMN2POLBMAPTALDH1A1
SCHEMBL6955337 0.80 ALOX5 (0.52) ALOX5SMN1; SMN2POLBMAPTALDH1A1

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-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