SCHEMBL6958688

SCHEMBL6958688

COc1ccc(F)c(CCNC(=S)Nc2nc3ccccc3[nH]2)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.48
RAB9A P51151 11/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 4/20 0.48
POLB P06746 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KLF5 Q13887 1/20 0.48
PKM P14618 5/20 0.48
HSP90AA1 P07900 2/20 0.48
PAX8 Q06710 1/20 0.48
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6952902 0.90 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL6954767 0.89 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL6959632 0.86 RAB9A (0.57) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL6954602 0.84 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL6965220 0.84 RAB9A (0.54) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL6958433 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL6956805 0.82 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL6952280 0.81 RAB9A (0.66) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL6965853 0.80 KMT2A (0.41) SMN1; SMN2POLBLMNAHTTMEN1
SCHEMBL6953499 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53POLB

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