SCHEMBL6958136

SCHEMBL6958136

Cc1ccccc1CCNC(=O)NSc1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MPO P05164 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
HIF1A Q16665 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL6957395 0.87 MAPK1 (0.53) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL6958370 0.87 ALDH1A1 (0.48) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL6952276 0.86 SMN1; SMN2 (0.56) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL6961534 0.85 PTGS2 (0.48) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL6954442 0.82 POLB (0.44) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL6964188 0.82 MPO (0.51) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL6964701 0.80 KMT2A (0.43) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL8890569 0.80 KMT2A (0.55) SMN1; SMN2LMNANPC1RAB9AKMT2A
SCHEMBL6955378 0.80 CYP1A2 (0.53) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL6954596 0.80 RAB9A (0.53) SMN1; SMN2HTTLMNANPC1RAB9A

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